3-(methylamino)-5-phenylcyclohex-2-en-1-one

C13H15NO — CID 5107198

IUPAC3-(methylamino)-5-phenylcyclohex-2-en-1-one
SMILESCNC1=CC(=O)CC(c2ccccc2)C1
InChIInChI=1S/C13H15NO/c1-14-12-7-11(8-13(15)9-12)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3
InChIKeyDSLZVRPZJZIDJX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.24
Rot. Bonds2

About 3-(methylamino)-5-phenylcyclohex-2-en-1-one

3-(methylamino)-5-phenylcyclohex-2-en-1-one (PubChem CID 5107198) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(methylamino)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(methylamino)-5-phenylcyclohex-2-en-1-one
PubChem CID5107198
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(methylamino)-5-phenylcyclohex-2-en-1-one
SMILESCNC1=CC(=O)CC(c2ccccc2)C1
InChIInChI=1S/C13H15NO/c1-14-12-7-11(8-13(15)9-12)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3
InChIKeyDSLZVRPZJZIDJX-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(methylamino)-5-phenylcyclohex-2-en-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 3-(methylamino)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(methylamino)-5-phenylcyclohex-2-en-1-one (CID 5107198) is 3-(methylamino)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(methylamino)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(methylamino)-5-phenylcyclohex-2-en-1-one is CNC1=CC(=O)CC(c2ccccc2)C1.
What is the InChIKey of 3-(methylamino)-5-phenylcyclohex-2-en-1-one?
The InChIKey is DSLZVRPZJZIDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-14-12-7-11(8-13(15)9-12)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3.
What are the key properties of 3-(methylamino)-5-phenylcyclohex-2-en-1-one?
3-(methylamino)-5-phenylcyclohex-2-en-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 5107198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).