(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide

C13H13NO2 — CID 174345393

IUPAC(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide
SMILESCC=CNC(=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-10-14-13(16)12(15)9-8-11-6-4-3-5-7-11/h2-10H,1H3,(H,14,16)/b9-8+,10-2?
InChIKeyZBWLFAQEULVZCR-MKLOQMEQSA-N
MW215.25 g/mol
LogP1.92
Rot. Bonds4

About (E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide

(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide (PubChem CID 174345393) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide.

Molecular Properties

Compound Name(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide
PubChem CID174345393
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide
SMILESCC=CNC(=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-10-14-13(16)12(15)9-8-11-6-4-3-5-7-11/h2-10H,1H3,(H,14,16)/b9-8+,10-2?
InChIKeyZBWLFAQEULVZCR-MKLOQMEQSA-N
XLogP1.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.92
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)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 134845600
(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide
CID 70158495
N-ethyl-2-oxo-4-phenylbut-3-enamide
CID 57196794
N,N-diethyl-2-oxo-4-phenylbut-3-enamide
CID 57095227
ethane;ethene;(1E,5Z)-4-methylidene-1-phenylhepta-1,5-dien-3-one
CID 142259373
(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide
CID 70156317
(E)-2-oxo-4-phenylbut-3-enoate
CID 6994167
potassium 2-oxo-4-phenylbut-3-enoate
CID 67784014
(E)-2-oxo-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 11470935
N-(2-phenylethenyl)acetamide
CID 54032077
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954

Frequently Asked Questions

What is the IUPAC name of (E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide?
The IUPAC name of (E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide (CID 174345393) is (E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide.
What is the SMILES notation for (E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide?
The canonical SMILES for (E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide is CC=CNC(=O)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide?
The InChIKey is ZBWLFAQEULVZCR-MKLOQMEQSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-10-14-13(16)12(15)9-8-11-6-4-3-5-7-11/h2-10H,1H3,(H,14,16)/b9-8+,10-2?.
What are the key properties of (E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide?
(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide has a molecular weight of 215.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide is sourced from PubChem (CID 174345393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).