2-anilinocyclohexan-1-one

C12H15NO — CID 2827219

IUPAC2-anilinocyclohexan-1-one
SMILESO=C1CCCCC1Nc1ccccc1
InChIInChI=1S/C12H15NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2
InChIKeyAWMZFBYYIATTOW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.61
Rot. Bonds2

About 2-anilinocyclohexan-1-one

2-anilinocyclohexan-1-one (PubChem CID 2827219) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-anilinocyclohexan-1-one.

Molecular Properties

Compound Name2-anilinocyclohexan-1-one
PubChem CID2827219
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-anilinocyclohexan-1-one
SMILESO=C1CCCCC1Nc1ccccc1
InChIInChI=1S/C12H15NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2
InChIKeyAWMZFBYYIATTOW-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-anilinocyclohexan-1-one 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-anilinocyclohexan-1-one?
The IUPAC name of 2-anilinocyclohexan-1-one (CID 2827219) is 2-anilinocyclohexan-1-one.
What is the SMILES notation for 2-anilinocyclohexan-1-one?
The canonical SMILES for 2-anilinocyclohexan-1-one is O=C1CCCCC1Nc1ccccc1.
What is the InChIKey of 2-anilinocyclohexan-1-one?
The InChIKey is AWMZFBYYIATTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2.
What are the key properties of 2-anilinocyclohexan-1-one?
2-anilinocyclohexan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinocyclohexan-1-one is sourced from PubChem (CID 2827219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).