2-benzamidopenta-2,4-dienoic acid

C12H11NO3 — CID 87146493

IUPAC2-benzamidopenta-2,4-dienoic acid
SMILESC=CC=C(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H11NO3/c1-2-6-10(12(15)16)13-11(14)9-7-4-3-5-8-9/h2-8H,1H2,(H,13,14)(H,15,16)
InChIKeyDOMJTWHKCORJOY-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.57
Rot. Bonds4

About 2-benzamidopenta-2,4-dienoic acid

2-benzamidopenta-2,4-dienoic acid (PubChem CID 87146493) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-benzamidopenta-2,4-dienoic acid.

Molecular Properties

Compound Name2-benzamidopenta-2,4-dienoic acid
PubChem CID87146493
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-benzamidopenta-2,4-dienoic acid
SMILESC=CC=C(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H11NO3/c1-2-6-10(12(15)16)13-11(14)9-7-4-3-5-8-9/h2-8H,1H2,(H,13,14)(H,15,16)
InChIKeyDOMJTWHKCORJOY-UHFFFAOYSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-benzamidopenta-2,4-dienoic acid 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

(E)-2-benzamidobut-2-enoic acid
CID 15472529
(Z)-2-benzamido-3-chloroprop-2-enoic acid
CID 10977157
(Z)-2-benzamido-4,4,4-trifluorobut-2-enoic acid
CID 141167082
(Z)-2-benzamido-3-(4-boronophenyl)prop-2-enoic acid
CID 10913942
(Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid
CID 68981682
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469
4-[(Z)-2-benzamido-2-carboxyethenyl]phenolate
CID 54712783
2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
CID 744037
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
N-[(1E,3E)-1-(methanethioylamino)hexa-1,3,5-trien-3-yl]benzamide
CID 130413292
N-penta-1,3-dien-3-ylbenzamide
CID 76693459
ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
CID 145162824

Frequently Asked Questions

What is the IUPAC name of 2-benzamidopenta-2,4-dienoic acid?
The IUPAC name of 2-benzamidopenta-2,4-dienoic acid (CID 87146493) is 2-benzamidopenta-2,4-dienoic acid.
What is the SMILES notation for 2-benzamidopenta-2,4-dienoic acid?
The canonical SMILES for 2-benzamidopenta-2,4-dienoic acid is C=CC=C(NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-benzamidopenta-2,4-dienoic acid?
The InChIKey is DOMJTWHKCORJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-6-10(12(15)16)13-11(14)9-7-4-3-5-8-9/h2-8H,1H2,(H,13,14)(H,15,16).
What are the key properties of 2-benzamidopenta-2,4-dienoic acid?
2-benzamidopenta-2,4-dienoic acid has a molecular weight of 217.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidopenta-2,4-dienoic acid is sourced from PubChem (CID 87146493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).