Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2472
- Core Entity Id
- 5934
- Source Entity Count
- 1
- Preferred Name
- 2-pyrrolidinone,1-methyl
- Name En
- Pubchem Id
- 13387
- Smiles Canonical
- CN1CCCC1=O
- Molecular Formula
- C5H9NO
- Molecular Weight
- 99.1330
- Inchikey
- SECXISVLQFMRJM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
- Isomeric Smiles
- CN1CCCC1=O
- Cas Id
- Ob Score
- Mol Logp
- 0.2386
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-pyrrolidinone, 1-methyl
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-pyrrolidinone,1-methyl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-pyrrolidinone,1-methyl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-METHYL-2-PYRROLIDINONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-METHYL-2-PYRROLIDINONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methyl-2-pyrrolidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methyl-2-pyrrolidone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methylpyrrolidin-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methylpyrrolidin-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
872-50-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
872-50-4
Role
alias
Source
HERB_v2
Preferred
No
Name
M-Pyrol
Role
alias
Source
HERB_v2
Preferred
No
Name
M-Pyrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methylpyrrolidone
Role
alias
Source
HERB_v2
Preferred
No
Name
Methylpyrrolidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-2-pyrrolidinone
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methyl-2-pyrrolidinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-2-pyrrolidone
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methyl-2-pyrrolidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methylpyrrolidone
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methylpyrrolidone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-pyrrolidinone, 1-methyl1-METHYL-2-PYRROLIDINONE1-Methyl-2-pyrrolidone1-methylpyrrolidin-2-one872-50-4M-PyrolMethylpyrrolidoneN-Methyl-2-pyrrolidinoneN-Methyl-2-pyrrolidoneN-Methylpyrrolidone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006355
Npass
NPC234196
Tcmid
41202
Pub Chem
13387
Tcmbank
TCMBANKIN018826
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
Mol Wt
99.133
Smiles
CN1CCCC1=O
Mol Log P
0.2385999999999999
In Ch Ikey
SECXISVLQFMRJM-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.426
Num Hacceptors
1
Isomeric Smiles
CN1CCCC1=O
Canonical Smiles
CN1CCCC1=O
Herb Alias Names
1-METHYL-2-PYRROLIDINONE872-50-4N-MethylpyrrolidoneN-Methyl-2-pyrrolidone1-methylpyrrolidin-2-oneMethylpyrrolidoneN-Methyl-2-pyrrolidinone1-Methyl-2-pyrrolidoneM-PyrolMethyl pyrrolidone
Molecular Weight
99.13 g/mol
Molecular Formula
C5H9NO
Molecular Formula
C5H9NO
Num Rotatable Bonds
0