(Z)-2-cyano-3-pyridin-4-ylprop-2-enamide

HCID 696295

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Basic information

CAS: 136633-63-1
Standard SMILES: N#C/C(=C/c1ccncc1)C(N)=O
InChIKey: OJUGYMUOPZHNKD-YVMONPNESA-N
Molecular formula: C9H7N3O
Average molar mass: 173.17 g/mol
Monoisotopic mass: 173.05891186

Names & identifiers

Preferred name: (Z)-2-cyano-3-pyridin-4-ylprop-2-enamide
IUPAC: (Z)-2-cyano-3-pyridin-4-ylprop-2-enamide

Names & synonyms

NSC172208(Z)-2-cyano-3-pyridin-4-ylprop-2-enamideDTXSID701347767STK421190AKOS002297450NSC-172208NS00096921ST45140790(2Z)-2-cyano-3-(4-pyridyl)prop-2-enamide(2Z)-2-cyano-3-(pyridin-4-yl)prop-2-enamide136633-63-1

Database identifiers

CAS: 136633-63-1、40749-36-8
PubChem CID: 696295
DTXSID: DTXSID701347767

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 79.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 268

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