2-(4-methylcyclohexylidene)acetamide

C9H15NO — CID 67989548

IUPAC2-(4-methylcyclohexylidene)acetamide
SMILESCC1CCC(=CC(N)=O)CC1
InChIInChI=1S/C9H15NO/c1-7-2-4-8(5-3-7)6-9(10)11/h6-7H,2-5H2,1H3,(H2,10,11)/b8-6-
InChIKeyDVSPJHNVLFYCJX-VURMDHGXSA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds1

About 2-(4-methylcyclohexylidene)acetamide

2-(4-methylcyclohexylidene)acetamide (PubChem CID 67989548) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(4-methylcyclohexylidene)acetamide.

Molecular Properties

Compound Name2-(4-methylcyclohexylidene)acetamide
PubChem CID67989548
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(4-methylcyclohexylidene)acetamide
SMILESCC1CCC(=CC(N)=O)CC1
InChIInChI=1S/C9H15NO/c1-7-2-4-8(5-3-7)6-9(10)11/h6-7H,2-5H2,1H3,(H2,10,11)/b8-6-
InChIKeyDVSPJHNVLFYCJX-VURMDHGXSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-methylcyclohexylidene)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 2-(4-methylcyclohexylidene)acetamide?
The IUPAC name of 2-(4-methylcyclohexylidene)acetamide (CID 67989548) is 2-(4-methylcyclohexylidene)acetamide.
What is the SMILES notation for 2-(4-methylcyclohexylidene)acetamide?
The canonical SMILES for 2-(4-methylcyclohexylidene)acetamide is CC1CCC(=CC(N)=O)CC1.
What is the InChIKey of 2-(4-methylcyclohexylidene)acetamide?
The InChIKey is DVSPJHNVLFYCJX-VURMDHGXSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-2-4-8(5-3-7)6-9(10)11/h6-7H,2-5H2,1H3,(H2,10,11)/b8-6-.
What are the key properties of 2-(4-methylcyclohexylidene)acetamide?
2-(4-methylcyclohexylidene)acetamide has a molecular weight of 153.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexylidene)acetamide is sourced from PubChem (CID 67989548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).