2-[3-(2-Cyanopyrrol-1-yl)benzoyl]guanidine
Basic information
- Standard SMILES
N#Cc1cccn1-c1cccc(C(=O)N=C(N)N)c1- InChIKey
FTWWBOBNBGJJOL-UHFFFAOYSA-N- Molecular formula
- C13H11N5O
- Average molar mass
- 253.26 g/mol
Names & identifiers
- Preferred name
- 2-[3-(2-Cyanopyrrol-1-yl)benzoyl]guanidine
- IUPAC
- 3-(2-cyanopyrrol-1-yl)-N-(diaminomethylidene)benzamide
Names & synonyms
SCHEMBL1388176SCHEMBL8700691FTWWBOBNBGJJOL-UHFFFAOYSA-N2-[3-(2-cyanopyrrol-1-yl)benzoyl]guanidine
Database identifiers
- PubChem CID
- 18945189
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 420
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Related reactions
6 records
Compound notes
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