(E)-N-benzyl-4-oxopent-2-enamide

C12H13NO2 — CID 131237691

IUPAC(E)-N-benzyl-4-oxopent-2-enamide
SMILESCC(=O)/C=C/C(=O)NCc1ccccc1
InChIInChI=1S/C12H13NO2/c1-10(14)7-8-12(15)13-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,15)/b8-7+
InChIKeyGSCRWULYWINNGH-BQYQJAHWSA-N
MW203.24 g/mol
LogP1.45
Rot. Bonds4

About (E)-N-benzyl-4-oxopent-2-enamide

(E)-N-benzyl-4-oxopent-2-enamide (PubChem CID 131237691) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (E)-N-benzyl-4-oxopent-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-4-oxopent-2-enamide
PubChem CID131237691
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(E)-N-benzyl-4-oxopent-2-enamide
SMILESCC(=O)/C=C/C(=O)NCc1ccccc1
InChIInChI=1S/C12H13NO2/c1-10(14)7-8-12(15)13-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,15)/b8-7+
InChIKeyGSCRWULYWINNGH-BQYQJAHWSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
(E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 6019548
(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide
CID 102036043
N-benzylacetamide;toluene
CID 175498463
(E)-N-benzyl-4-(2,5-dimethylphenyl)-4-oxobut-2-enamide
CID 71654022
N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide
CID 101460565
(E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide
CID 10478171
(Z)-N-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 23275357
N-benzyl-2-[4-[2-(benzylamino)-2-oxoethylidene]-1,3-dithietan-2-ylidene]acetamide
CID 12680451
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-4-oxopent-2-enamide?
The IUPAC name of (E)-N-benzyl-4-oxopent-2-enamide (CID 131237691) is (E)-N-benzyl-4-oxopent-2-enamide.
What is the SMILES notation for (E)-N-benzyl-4-oxopent-2-enamide?
The canonical SMILES for (E)-N-benzyl-4-oxopent-2-enamide is CC(=O)/C=C/C(=O)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-4-oxopent-2-enamide?
The InChIKey is GSCRWULYWINNGH-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H13NO2/c1-10(14)7-8-12(15)13-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,15)/b8-7+.
What are the key properties of (E)-N-benzyl-4-oxopent-2-enamide?
(E)-N-benzyl-4-oxopent-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-4-oxopent-2-enamide is sourced from PubChem (CID 131237691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).