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Basic information
- CAS
1382848-00-1- Standard SMILES
O=C(Nc1cc2ccccc2cn1)C1CC1- InChIKey
HFGSSVOPZBVGFS-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.09496301
Names & identifiers
- Preferred name
- N-(isoquinolin-3-yl)cyclopropanecarboxamide
- IUPAC
- N-isoquinolin-3-ylcyclopropanecarboxamide
Names & synonyms
N-(isoquinolin-3-yl)cyclopropanecarboxamideN-3-Isoquinolinylcyclopropanecarboxamide1382848-00-1SCHEMBL9939176HFGSSVOPZBVGFS-UHFFFAOYSA-NDTXSID701276168DB-159604
Database identifiers
- CAS
1382848-00-1- PubChem CID
- 67974797
- DTXSID
DTXSID701276168
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Related reactions
2 records
Compound notes
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