3-(4-methylphenyl)iminocyclohexan-1-one

C13H15NO — CID 123984217

IUPAC3-(4-methylphenyl)iminocyclohexan-1-one
SMILESCc1ccc(/N=C2\CCCC(=O)C2)cc1
InChIInChI=1S/C13H15NO/c1-10-5-7-11(8-6-10)14-12-3-2-4-13(15)9-12/h5-8H,2-4,9H2,1H3/b14-12+
InChIKeyLDSLTXAFGKNXEM-WYMLVPIESA-N
MW201.27 g/mol
LogP3.21
Rot. Bonds1

About 3-(4-methylphenyl)iminocyclohexan-1-one

3-(4-methylphenyl)iminocyclohexan-1-one (PubChem CID 123984217) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)iminocyclohexan-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)iminocyclohexan-1-one
PubChem CID123984217
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(4-methylphenyl)iminocyclohexan-1-one
SMILESCc1ccc(/N=C2\CCCC(=O)C2)cc1
InChIInChI=1S/C13H15NO/c1-10-5-7-11(8-6-10)14-12-3-2-4-13(15)9-12/h5-8H,2-4,9H2,1H3/b14-12+
InChIKeyLDSLTXAFGKNXEM-WYMLVPIESA-N
XLogP3.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)iminocyclohexan-1-one?
The IUPAC name of 3-(4-methylphenyl)iminocyclohexan-1-one (CID 123984217) is 3-(4-methylphenyl)iminocyclohexan-1-one.
What is the SMILES notation for 3-(4-methylphenyl)iminocyclohexan-1-one?
The canonical SMILES for 3-(4-methylphenyl)iminocyclohexan-1-one is Cc1ccc(/N=C2\CCCC(=O)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)iminocyclohexan-1-one?
The InChIKey is LDSLTXAFGKNXEM-WYMLVPIESA-N. The full InChI is InChI=1S/C13H15NO/c1-10-5-7-11(8-6-10)14-12-3-2-4-13(15)9-12/h5-8H,2-4,9H2,1H3/b14-12+.
What are the key properties of 3-(4-methylphenyl)iminocyclohexan-1-one?
3-(4-methylphenyl)iminocyclohexan-1-one has a molecular weight of 201.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)iminocyclohexan-1-one is sourced from PubChem (CID 123984217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).