N-carbamoyl-2-cyano-butanamide

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Basic information

CAS: 88866-04-0
Standard SMILES: CCC(C#N)C(=O)NC(N)=O
InChIKey: HZRRQDKNPFKIHD-UHFFFAOYSA-N
Molecular formula: C6H9N3O2
Average molar mass: 155.15 g/mol
Monoisotopic mass: 155.06947654

Names & identifiers

Preferred name: N-carbamoyl-2-cyano-butanamide
IUPAC: N-carbamoyl-2-cyanobutanamide
English name: alpha-Ethylcyanoacetylurea
Molecular formula: C6H9N3O2
Molecular weight: 155.15

Names & synonyms

N-carbamoyl-2-cyano-butanamide88866-04-0N-carbamoyl-2-cyanobutanamideNSC12209N-(2-cyanobutanoyl)ureaSCHEMBL8076007DTXSID50279305HZRRQDKNPFKIHD-UHFFFAOYSA-NNSC-12209AKOS006284283DS-012026(2-cyano-butyryl)-urea

Show more names

alpha-Ethylcyanoacetylurea

Database identifiers

CAS: 88866-04-0
PubChem CID: 224009
DTXSID: DTXSID50279305

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 96 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 215

Related reactions

2 records

New reaction record

HRID 799238As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 2289185As productuspto-grants-2000_07

Compound notes

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