Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2246
- Core Entity Id
- 5684
- Source Entity Count
- 1
- Preferred Name
- 2-methylpyrrole
- Name En
- Pubchem Id
- 12489
- Smiles Canonical
- CC1=CC=CN1
- Molecular Formula
- C5H7N
- Molecular Weight
- 81.1180
- Inchikey
- TVCXVUHHCUYLGX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3
- Isomeric Smiles
- CC1=CC=CN1
- Cas Id
- 636-41-9
- Ob Score
- 46.6430
- Mol Logp
- 1.3231
- Num H Donors
- 1
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methylpyrrole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Methylpyrrole
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methylpyrrole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methylpyrrole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
.alpha.-Methylpyrrole
Role
alias
Source
TCMBank
Preferred
No
Name
1H-Pyrrole, 2-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
1H-Pyrrole, 2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Pyrrole, 2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Pyrrole, 2-methyl- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl-1H-pyrrole
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-1H-pyrrole
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-1H-pyrrole
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methylpyrolle
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methylpyrolle
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methylpyrolle
Role
alias
Source
HERB_v2
Preferred
No
Name
636-41-9
Role
alias
Source
HERB_v2
Preferred
No
Name
636-41-9
Role
alias
Source
TCMBank
Preferred
No
Name
636-41-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 211-255-4
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD02822910
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD02822910
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-81346
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-81346
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC81346
Role
alias
Source
TCMBank
Preferred
No
Name
Pyrrole, 2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrole, 2-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Pyrrole, 2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrrole, 2-methyl- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Methylpyrrole
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Methylpyrrole
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.alpha.-Methylpyrrole1H-Pyrrole, 2-methyl-1H-Pyrrole, 2-methyl- (9CI)2-Methyl-1H-pyrrole2-Methylpyrolle636-41-9EINECS 211-255-4InChI=1/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1HMFCD02822910NSC-81346NSC81346Pyrrole, 2-methyl-Pyrrole, 2-methyl- (8CI)alpha-Methylpyrrole
Cross References
Trusted external identifiers retained for this final record.
Cas
636-41-9
Herb
HBIN006092
Tcmsp
MOL009814
Sym Map
SMIT10897
Pub Chem
12489
Tcmbank
TCMBANKIN036042
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3
Mol Wt
81.11800000000001
Cas Id
636-41-9
Smiles
CC1=CC=CN1
Mol Log P
1.32312
Version
v1,v2
In Ch Ikey
TVCXVUHHCUYLGX-UHFFFAOYSA-N
Ob Score
46.64346.64337846.6433785
Suppress
0
Num Hdonors
1
Drug Likeness
0.485
Num Hacceptors
0
Isomeric Smiles
CC1=CC=CN1
Molecule Weight
81.13
Canonical Smiles
CC1=CC=CN1
Herb Alias Names
2-Methyl-1H-pyrrole636-41-91H-Pyrrole, 2-methyl-Pyrrole, 2-methyl-alpha-Methylpyrrole2-Methylpyrolle.alpha.-MethylpyrroleMFCD02822910NSC-81346
Molecular Weight
81.12
Molecular Formula
C5H7N
Molecular Formula
C5H7N
Num Rotatable Bonds
0