5-cyclohexa-1,4-dien-1-ylpentanamide

C11H17NO — CID 57123378

IUPAC5-cyclohexa-1,4-dien-1-ylpentanamide
SMILESNC(=O)CCCCC1=CCC=CC1
InChIInChI=1S/C11H17NO/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-2,7H,3-6,8-9H2,(H2,12,13)
InChIKeyJEQLLUSSXBCQSK-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.31
Rot. Bonds5

About 5-cyclohexa-1,4-dien-1-ylpentanamide

5-cyclohexa-1,4-dien-1-ylpentanamide (PubChem CID 57123378) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-cyclohexa-1,4-dien-1-ylpentanamide.

Molecular Properties

Compound Name5-cyclohexa-1,4-dien-1-ylpentanamide
PubChem CID57123378
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-cyclohexa-1,4-dien-1-ylpentanamide
SMILESNC(=O)CCCCC1=CCC=CC1
InChIInChI=1S/C11H17NO/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-2,7H,3-6,8-9H2,(H2,12,13)
InChIKeyJEQLLUSSXBCQSK-UHFFFAOYSA-N
XLogP2.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-cyclohexa-1,4-dien-1-ylpentanamide 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 5-cyclohexa-1,4-dien-1-ylpentanamide?
The IUPAC name of 5-cyclohexa-1,4-dien-1-ylpentanamide (CID 57123378) is 5-cyclohexa-1,4-dien-1-ylpentanamide.
What is the SMILES notation for 5-cyclohexa-1,4-dien-1-ylpentanamide?
The canonical SMILES for 5-cyclohexa-1,4-dien-1-ylpentanamide is NC(=O)CCCCC1=CCC=CC1.
What is the InChIKey of 5-cyclohexa-1,4-dien-1-ylpentanamide?
The InChIKey is JEQLLUSSXBCQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-2,7H,3-6,8-9H2,(H2,12,13).
What are the key properties of 5-cyclohexa-1,4-dien-1-ylpentanamide?
5-cyclohexa-1,4-dien-1-ylpentanamide has a molecular weight of 179.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,4-dien-1-ylpentanamide is sourced from PubChem (CID 57123378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).