N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide

C10H15NO2 — CID 2731809

IUPACN-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide
SMILESCC(=O)NC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C10H15NO2/c1-7(12)11-8-4-9(13)6-10(2,3)5-8/h4H,5-6H2,1-3H3,(H,11,12)
InChIKeyNCNLTUKZSHYPJI-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.40
Rot. Bonds1

About N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide

N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide (PubChem CID 2731809) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide
PubChem CID2731809
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide
SMILESCC(=O)NC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C10H15NO2/c1-7(12)11-8-4-9(13)6-10(2,3)5-8/h4H,5-6H2,1-3H3,(H,11,12)
InChIKeyNCNLTUKZSHYPJI-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5,5-dimethyl-3-oxocyclohexen-1-yl)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-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide?
The IUPAC name of N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide (CID 2731809) is N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide?
The canonical SMILES for N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide is CC(=O)NC1=CC(=O)CC(C)(C)C1.
What is the InChIKey of N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide?
The InChIKey is NCNLTUKZSHYPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(12)11-8-4-9(13)6-10(2,3)5-8/h4H,5-6H2,1-3H3,(H,11,12).
What are the key properties of N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide?
N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide has a molecular weight of 181.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide is sourced from PubChem (CID 2731809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).