Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4304
- Core Entity Id
- 7971
- Source Entity Count
- 1
- Preferred Name
- (3e)-3-(2-propenylidene)-1-cyclobutene
- Name En
- Pubchem Id
- 5368360
- Smiles Canonical
- C=CC=C1CC=C1
- Molecular Formula
- C7H8
- Molecular Weight
- 92.1410
- Inchikey
- USDJJNZZCBONHN-DAXSKMNVSA-N
- Inchi
- InChI=1S/C7H8/c1-2-4-7-5-3-6-7/h2-5H,1,6H2/b7-4-
- Isomeric Smiles
- C=C/C=C/1\CC=C1
- Cas Id
- Ob Score
- Mol Logp
- 2.0587
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(3e)-3-(2-propenylidene)-1-cyclobutene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3e)-3-(2-propenylidene)-1-cyclobutene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3E)-3-(2-Propenylidene)-1-cyclobutene #
Role
alias
Source
HERB_v2
Preferred
No
Name
(3E)-3-(2-Propenylidene)-1-cyclobutene #
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3E)-3-prop-2-enylidenecyclobutene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3E)-3-prop-2-enylidenecyclobutene
Role
alias
Source
HERB_v2
Preferred
No
Name
52097-85-5
Role
alias
Source
HERB_v2
Preferred
No
Name
52097-85-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclobutene, 2-propenylidene-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclobutene, 2-propenylidene-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclobutene, 3-(2-propen-1-ylidene)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclobutene, 3-(2-propen-1-ylidene)-
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-247012
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-247012
Role
alias
Source
itcmdb_public
Preferred
No
Name
USDJJNZZCBONHN-DAXSKMNVSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
USDJJNZZCBONHN-DAXSKMNVSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3E)-3-(2-Propenylidene)-1-cyclobutene #(3E)-3-prop-2-enylidenecyclobutene52097-85-5Cyclobutene, 2-propenylidene-Cyclobutene, 3-(2-propen-1-ylidene)-DB-247012USDJJNZZCBONHN-DAXSKMNVSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008445
Npass
NPC47795
Tcmid
35513
Pub Chem
5368360
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H8/c1-2-4-7-5-3-6-7/h2-5H,1,6H2/b7-4-
Mol Wt
92.14099999999998
Mol Log P
2.0587
In Ch Ikey
USDJJNZZCBONHN-DAXSKMNVSA-N
Num Hdonors
0
Drug Likeness
0.464
Num Hacceptors
0
Isomeric Smiles
C=C/C=C/1\CC=C1
Canonical Smiles
C=CC=C1CC=C1
Herb Alias Names
52097-85-5Cyclobutene, 2-propenylidene-(3E)-3-prop-2-enylidenecyclobuteneCyclobutene, 3-(2-propen-1-ylidene)-USDJJNZZCBONHN-DAXSKMNVSA-NDB-247012(3E)-3-(2-Propenylidene)-1-cyclobutene #
Molecular Formula
C7H8
Num Rotatable Bonds
1