N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide

C10H15NO — CID 14611685

IUPACN-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide
SMILESCC(=O)NCCC1C=CC=CC1
InChIInChI=1S/C10H15NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-5,10H,6-8H2,1H3,(H,11,12)
InChIKeyRZBINQSGLLCTET-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.64
Rot. Bonds3

About N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide

N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide (PubChem CID 14611685) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide
PubChem CID14611685
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide
SMILESCC(=O)NCCC1C=CC=CC1
InChIInChI=1S/C10H15NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-5,10H,6-8H2,1H3,(H,11,12)
InChIKeyRZBINQSGLLCTET-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide 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 N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide?
The IUPAC name of N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide (CID 14611685) is N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide.
What is the SMILES notation for N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide?
The canonical SMILES for N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide is CC(=O)NCCC1C=CC=CC1.
What is the InChIKey of N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide?
The InChIKey is RZBINQSGLLCTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-5,10H,6-8H2,1H3,(H,11,12).
What are the key properties of N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide?
N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide has a molecular weight of 165.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-2,4-dien-1-ylethyl)acetamide is sourced from PubChem (CID 14611685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).