CAS 21477-59-8 (2Z)-4-(Cyclohexylamino)-4-oxo-2-butenoic acid (HCID 1551599)

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Basic information

CAS: 21477-59-8
Standard SMILES: O=C(O)/C=C\C(=O)NC1CCCCC1
InChIKey: DEWAGGNAHQGYBD-SREVYHEPSA-N
Molecular formula: C10H15NO3
Average molar mass: 197.23 g/mol
Monoisotopic mass: 197.10519334

Names & identifiers

Preferred name: (2Z)-4-(Cyclohexylamino)-4-oxo-2-butenoic acid
IUPAC: (Z)-4-(cyclohexylamino)-4-oxobut-2-enoic acid
English name: 2-Butenoic acid,4-(cyclohexylamino)-4-oxo-, (2Z)-
Molecular formula: C10H15NO3
Molecular weight: 197.23

Names & synonyms

21477-59-8(2Z)-4-(cyclohexylamino)-4-oxo-2-butenoic acidRefChem:207253(Z)-4-(cyclohexylamino)-4-oxobut-2-enoic acidN-Cyclohexylmaleamic acidn-cyclohexyl maleamic acidMLS000332465(2Z)-3-(cyclohexylcarbamoyl)prop-2-enoic acidMFCD00185902(Z)-3-Cyclohexylcarbamoyl-acrylic acidSMR000221739(Z)-4-(cyclohexylamino)-4-oxo-2-butenoic acid

Show more names

(Z)-3-(cyclohexylcarbamoyl)acrylic acid(2E)-3-(cyclohexylcarbamoyl)prop-2-enoic acid(2E)-4-(Cyclohexylamino)-4-oxobut-2-enoic acid2-Butenoic acid,4-(cyclohexylamino)-4-oxo-, (2Z)-

N-cyclohexyl maleinamic acidSCHEMBL5766195CHEMBL1382691BDBM45153cid_1551599DEWAGGNAHQGYBD-SREVYHEPSA-NDTXSID301250059HMS2604K13

Database identifiers

CAS: 21477-59-8
PubChem CID: 1551599
DTXSID: DTXSID301250059

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 242

Physicochemical properties

Melting point: 150 °C · 150 °C(Solv: chloroform (67-66-3); ethyl ether (60-29-7))
Boiling point: 430.9 · 430.9±37.0 °C(Predicted)
Density: 1.16 · 1.16±0.1 g/cm3(Predicted)
pka: 2.93 · 2.93±0.25(Predicted)