3-oxo-N-[(E)-2-phenylethenyl]butanamide

C12H13NO2 — CID 10943577

IUPAC3-oxo-N-[(E)-2-phenylethenyl]butanamide
SMILESCC(=O)CC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C12H13NO2/c1-10(14)9-12(15)13-8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,15)/b8-7+
InChIKeyNJGTVCOHEZSUPG-BQYQJAHWSA-N
MW203.24 g/mol
LogP1.75
Rot. Bonds4

About 3-oxo-N-[(E)-2-phenylethenyl]butanamide

3-oxo-N-[(E)-2-phenylethenyl]butanamide (PubChem CID 10943577) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-oxo-N-[(E)-2-phenylethenyl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[(E)-2-phenylethenyl]butanamide
PubChem CID10943577
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-oxo-N-[(E)-2-phenylethenyl]butanamide
SMILESCC(=O)CC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C12H13NO2/c1-10(14)9-12(15)13-8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,15)/b8-7+
InChIKeyNJGTVCOHEZSUPG-BQYQJAHWSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-oxo-N-[(E)-2-phenylethenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetoacetobenzylamide
CID 70159
1,4-Dihydro-4-oxo-6-(phenylmethyl)-3-pyridinecarboxamide
CID 11736320
N-(2-Phenylethenyl)acetamide
CID 6422415
N-[(E)-2-(p-tolyl)vinyl]acetamide
CID 44426090
N-(3-Phenylpropyl)acetoacetamide
CID 253236
N-nonyl-3-oxo-4-phenylbutanamide
CID 155549387
N-[(E)-2-(2-fluorophenyl)vinyl]acetamide
CID 44426085
N-[(E)-2-(4-fluorophenyl)vinyl]acetamide
CID 44426086
N-[(E)-2-(o-tolyl)vinyl]acetamide
CID 44426089
2-oxo-N-(2-phenylethyl)propanamide
CID 18721992
3-oxo-N-(2-phenylethyl)dodecanamide
CID 50991276
N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide
CID 10703999

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(E)-2-phenylethenyl]butanamide?
The IUPAC name of 3-oxo-N-[(E)-2-phenylethenyl]butanamide (CID 10943577) is 3-oxo-N-[(E)-2-phenylethenyl]butanamide.
What is the SMILES notation for 3-oxo-N-[(E)-2-phenylethenyl]butanamide?
The canonical SMILES for 3-oxo-N-[(E)-2-phenylethenyl]butanamide is CC(=O)CC(=O)N/C=C/c1ccccc1.
What is the InChIKey of 3-oxo-N-[(E)-2-phenylethenyl]butanamide?
The InChIKey is NJGTVCOHEZSUPG-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H13NO2/c1-10(14)9-12(15)13-8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,15)/b8-7+.
What are the key properties of 3-oxo-N-[(E)-2-phenylethenyl]butanamide?
3-oxo-N-[(E)-2-phenylethenyl]butanamide has a molecular weight of 203.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(E)-2-phenylethenyl]butanamide is sourced from PubChem (CID 10943577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).