N-methyl-4-prop-1-enylnona-4,6-dienamide

C13H21NO — CID 90699990

IUPACN-methyl-4-prop-1-enylnona-4,6-dienamide
SMILESCC=CC(=CC=CCC)CCC(=O)NC
InChIInChI=1S/C13H21NO/c1-4-6-7-9-12(8-5-2)10-11-13(15)14-3/h5-9H,4,10-11H2,1-3H3,(H,14,15)
InChIKeyMDPRRGUEXMWXQG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds6

About N-methyl-4-prop-1-enylnona-4,6-dienamide

N-methyl-4-prop-1-enylnona-4,6-dienamide (PubChem CID 90699990) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-4-prop-1-enylnona-4,6-dienamide.

Molecular Properties

Compound NameN-methyl-4-prop-1-enylnona-4,6-dienamide
PubChem CID90699990
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-4-prop-1-enylnona-4,6-dienamide
SMILESCC=CC(=CC=CCC)CCC(=O)NC
InChIInChI=1S/C13H21NO/c1-4-6-7-9-12(8-5-2)10-11-13(15)14-3/h5-9H,4,10-11H2,1-3H3,(H,14,15)
InChIKeyMDPRRGUEXMWXQG-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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 N-methyl-4-prop-1-enylnona-4,6-dienamide?
The IUPAC name of N-methyl-4-prop-1-enylnona-4,6-dienamide (CID 90699990) is N-methyl-4-prop-1-enylnona-4,6-dienamide.
What is the SMILES notation for N-methyl-4-prop-1-enylnona-4,6-dienamide?
The canonical SMILES for N-methyl-4-prop-1-enylnona-4,6-dienamide is CC=CC(=CC=CCC)CCC(=O)NC.
What is the InChIKey of N-methyl-4-prop-1-enylnona-4,6-dienamide?
The InChIKey is MDPRRGUEXMWXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-7-9-12(8-5-2)10-11-13(15)14-3/h5-9H,4,10-11H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-4-prop-1-enylnona-4,6-dienamide?
N-methyl-4-prop-1-enylnona-4,6-dienamide has a molecular weight of 207.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-1-enylnona-4,6-dienamide is sourced from PubChem (CID 90699990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).