(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide

C12H11NO2 — CID 70158495

IUPAC(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide
SMILESC=CNC(=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H11NO2/c1-2-13-12(15)11(14)9-8-10-6-4-3-5-7-10/h2-9H,1H2,(H,13,15)/b9-8+
InChIKeyCEEJGCWSRHXYIZ-CMDGGOBGSA-N
MW201.22 g/mol
LogP1.53
Rot. Bonds4

About (E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide

(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide (PubChem CID 70158495) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide
PubChem CID70158495
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide
SMILESC=CNC(=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H11NO2/c1-2-13-12(15)11(14)9-8-10-6-4-3-5-7-10/h2-9H,1H2,(H,13,15)/b9-8+
InChIKeyCEEJGCWSRHXYIZ-CMDGGOBGSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide
CID 174345393
N-ethyl-2-oxo-4-phenylbut-3-enamide
CID 57196794
potassium 2-oxo-4-phenylbut-3-enoate
CID 67784014
(E)-2-oxo-4-phenylbut-3-enoate
CID 6994167
N,N-diethyl-2-oxo-4-phenylbut-3-enamide
CID 57095227
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide
CID 70156317
N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide
CID 57194236
(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
CID 131855579
CID 131855579

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide?
The IUPAC name of (E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide (CID 70158495) is (E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide is C=CNC(=O)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide?
The InChIKey is CEEJGCWSRHXYIZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-13-12(15)11(14)9-8-10-6-4-3-5-7-10/h2-9H,1H2,(H,13,15)/b9-8+.
What are the key properties of (E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide?
(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide has a molecular weight of 201.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide is sourced from PubChem (CID 70158495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).