N-penta-1,3-dien-3-ylbenzamide

C12H13NO — CID 76693459

IUPACN-penta-1,3-dien-3-ylbenzamide
SMILESC=CC(=CC)NC(=O)c1ccccc1
InChIInChI=1S/C12H13NO/c1-3-11(4-2)13-12(14)10-8-6-5-7-9-10/h3-9H,1H2,2H3,(H,13,14)
InChIKeyJUWUBPHYOSXOTH-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.51
Rot. Bonds3

About N-penta-1,3-dien-3-ylbenzamide

N-penta-1,3-dien-3-ylbenzamide (PubChem CID 76693459) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is N-penta-1,3-dien-3-ylbenzamide.

Molecular Properties

Compound NameN-penta-1,3-dien-3-ylbenzamide
PubChem CID76693459
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC NameN-penta-1,3-dien-3-ylbenzamide
SMILESC=CC(=CC)NC(=O)c1ccccc1
InChIInChI=1S/C12H13NO/c1-3-11(4-2)13-12(14)10-8-6-5-7-9-10/h3-9H,1H2,2H3,(H,13,14)
InChIKeyJUWUBPHYOSXOTH-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-penta-1,3-dien-3-ylbenzamide 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

ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
CID 142217510
2-[[(3E)-penta-1,3-dien-3-yl]amino]-1-phenylethanone
CID 143069328
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
(E)-2-benzamidobut-2-enoic acid
CID 15472529
N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide
CID 135603698
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide
CID 11954
N-[(1E,3E)-1-(methanethioylamino)hexa-1,3,5-trien-3-yl]benzamide
CID 130413292
ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
CID 145162824
ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine
CID 142176662
2-benzamidopenta-2,4-dienoic acid
CID 87146493
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469

Frequently Asked Questions

What is the IUPAC name of N-penta-1,3-dien-3-ylbenzamide?
The IUPAC name of N-penta-1,3-dien-3-ylbenzamide (CID 76693459) is N-penta-1,3-dien-3-ylbenzamide.
What is the SMILES notation for N-penta-1,3-dien-3-ylbenzamide?
The canonical SMILES for N-penta-1,3-dien-3-ylbenzamide is C=CC(=CC)NC(=O)c1ccccc1.
What is the InChIKey of N-penta-1,3-dien-3-ylbenzamide?
The InChIKey is JUWUBPHYOSXOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-11(4-2)13-12(14)10-8-6-5-7-9-10/h3-9H,1H2,2H3,(H,13,14).
What are the key properties of N-penta-1,3-dien-3-ylbenzamide?
N-penta-1,3-dien-3-ylbenzamide has a molecular weight of 187.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-1,3-dien-3-ylbenzamide is sourced from PubChem (CID 76693459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).