Basic information
- CAS
79068-29-4- Standard SMILES
NC(=O)c1[nH]ccc1NCc1ccccc1- InChIKey
DSIXOLJOPZPOGN-UHFFFAOYSA-N- Molecular formula
- C12H13N3O
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.10586205
Names & identifiers
- Preferred name
- 3-(benzylamino)-1H-pyrrole-2-carboxamide
- IUPAC
- 3-(benzylamino)-1H-pyrrole-2-carboxamide
Names & synonyms
79068-29-43-(benzylamino)-1H-pyrrole-2-carboxamideNSC351348DTXSID90319855NSC-351348
Database identifiers
- CAS
79068-29-4- PubChem CID
- 336572
- DTXSID
DTXSID90319855
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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