2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide

C11H19NO — CID 90722137

IUPAC2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide
SMILESCC=CC(NC(=O)C(C)C)=C(C)C
InChIInChI=1S/C11H19NO/c1-6-7-10(8(2)3)12-11(13)9(4)5/h6-7,9H,1-5H3,(H,12,13)
InChIKeyFWCGXDINPLJDLO-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.63
Rot. Bonds3

About 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide

2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide (PubChem CID 90722137) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide
PubChem CID90722137
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide
SMILESCC=CC(NC(=O)C(C)C)=C(C)C
InChIInChI=1S/C11H19NO/c1-6-7-10(8(2)3)12-11(13)9(4)5/h6-7,9H,1-5H3,(H,12,13)
InChIKeyFWCGXDINPLJDLO-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide (CID 90722137) is 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide is CC=CC(NC(=O)C(C)C)=C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide?
The InChIKey is FWCGXDINPLJDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-7-10(8(2)3)12-11(13)9(4)5/h6-7,9H,1-5H3,(H,12,13).
What are the key properties of 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide?
2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide has a molecular weight of 181.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide is sourced from PubChem (CID 90722137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).