ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide

C12H21NO — CID 142308703

IUPACethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide
SMILESC=C/C=C(\C=C)CCC(=O)NC.CC
InChIInChI=1S/C10H15NO.C2H6/c1-4-6-9(5-2)7-8-10(12)11-3;1-2/h4-6H,1-2,7-8H2,3H3,(H,11,12);1-2H3/b9-6+;
InChIKeyCHSYWRZPSZFXEW-MLBSPLJJSA-N
MW195.31 g/mol
LogP2.84
Rot. Bonds5

About ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide

ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide (PubChem CID 142308703) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide.

Molecular Properties

Compound Nameethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide
PubChem CID142308703
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide
SMILESC=C/C=C(\C=C)CCC(=O)NC.CC
InChIInChI=1S/C10H15NO.C2H6/c1-4-6-9(5-2)7-8-10(12)11-3;1-2/h4-6H,1-2,7-8H2,3H3,(H,11,12);1-2H3/b9-6+;
InChIKeyCHSYWRZPSZFXEW-MLBSPLJJSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide 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

N-methyl arachidonoyl amine
CID 5283392
N-Isobutyl-(6Z,8E)-decadienamide
CID 5370490
Dihydrocaffeiyl methyl amide quinone
CID 130250
(Z)-N-methyldec-4-enamide
CID 151338477
N-(2-methylpropyl)deca-6,8-dienamide
CID 523114
2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylacetamide
CID 89285513
(2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide
CID 89341011
(4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide
CID 130374426
4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide
CID 12977207
(4E)-N,N,4-trimethylhepta-4,6-dienamide
CID 13483540
N-isobutyl-4,6-decadienamide
CID 129651968
N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 154533267

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide?
The IUPAC name of ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide (CID 142308703) is ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide.
What is the SMILES notation for ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide?
The canonical SMILES for ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide is C=C/C=C(\C=C)CCC(=O)NC.CC.
What is the InChIKey of ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide?
The InChIKey is CHSYWRZPSZFXEW-MLBSPLJJSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-4-6-9(5-2)7-8-10(12)11-3;1-2/h4-6H,1-2,7-8H2,3H3,(H,11,12);1-2H3/b9-6+;.
What are the key properties of ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide?
ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide has a molecular weight of 195.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide is sourced from PubChem (CID 142308703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).