4-cyclohexa-2,4-dien-1-ylbutanamide

C10H15NO — CID 138478327

IUPAC4-cyclohexa-2,4-dien-1-ylbutanamide
SMILESNC(=O)CCCC1C=CC=CC1
InChIInChI=1S/C10H15NO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5,9H,4,6-8H2,(H2,11,12)
InChIKeyNHQWIWVIGCNOAU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.77
Rot. Bonds4

About 4-cyclohexa-2,4-dien-1-ylbutanamide

4-cyclohexa-2,4-dien-1-ylbutanamide (PubChem CID 138478327) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-ylbutanamide.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-ylbutanamide
PubChem CID138478327
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-cyclohexa-2,4-dien-1-ylbutanamide
SMILESNC(=O)CCCC1C=CC=CC1
InChIInChI=1S/C10H15NO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5,9H,4,6-8H2,(H2,11,12)
InChIKeyNHQWIWVIGCNOAU-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexa-2,4-dien-1-ylbutanamide 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 4-cyclohexa-2,4-dien-1-ylbutanamide?
The IUPAC name of 4-cyclohexa-2,4-dien-1-ylbutanamide (CID 138478327) is 4-cyclohexa-2,4-dien-1-ylbutanamide.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-ylbutanamide?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-ylbutanamide is NC(=O)CCCC1C=CC=CC1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-ylbutanamide?
The InChIKey is NHQWIWVIGCNOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5,9H,4,6-8H2,(H2,11,12).
What are the key properties of 4-cyclohexa-2,4-dien-1-ylbutanamide?
4-cyclohexa-2,4-dien-1-ylbutanamide has a molecular weight of 165.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-ylbutanamide is sourced from PubChem (CID 138478327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).