(2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide

C9H15NO — CID 14329806

IUPAC(2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide
SMILESC/C=C(CC)/C(C)=C/C(N)=O
InChIInChI=1S/C9H15NO/c1-4-8(5-2)7(3)6-9(10)11/h4,6H,5H2,1-3H3,(H2,10,11)/b7-6+,8-4+
InChIKeyJDRSIQPKGXAVND-CUXHJGIESA-N
MW153.22 g/mol
LogP1.77
Rot. Bonds3

About (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide

(2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide (PubChem CID 14329806) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide
PubChem CID14329806
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide
SMILESC/C=C(CC)/C(C)=C/C(N)=O
InChIInChI=1S/C9H15NO/c1-4-8(5-2)7(3)6-9(10)11/h4,6H,5H2,1-3H3,(H2,10,11)/b7-6+,8-4+
InChIKeyJDRSIQPKGXAVND-CUXHJGIESA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide (CID 14329806) is (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide is C/C=C(CC)/C(C)=C/C(N)=O.
What is the InChIKey of (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide?
The InChIKey is JDRSIQPKGXAVND-CUXHJGIESA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8(5-2)7(3)6-9(10)11/h4,6H,5H2,1-3H3,(H2,10,11)/b7-6+,8-4+.
What are the key properties of (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide?
(2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide has a molecular weight of 153.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide is sourced from PubChem (CID 14329806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).