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

C13H15NO — CID 131847395

IUPAC3-(methylamino)-2-phenylcyclohex-2-en-1-one
SMILESCNC1=C(c2ccccc2)C(=O)CCC1
InChIInChI=1S/C13H15NO/c1-14-11-8-5-9-12(15)13(11)10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3
InChIKeyWPNVRWXUJKMBPJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.37
Rot. Bonds2

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

3-(methylamino)-2-phenylcyclohex-2-en-1-one (PubChem CID 131847395) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(methylamino)-2-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(methylamino)-2-phenylcyclohex-2-en-1-one
PubChem CID131847395
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(methylamino)-2-phenylcyclohex-2-en-1-one
SMILESCNC1=C(c2ccccc2)C(=O)CCC1
InChIInChI=1S/C13H15NO/c1-14-11-8-5-9-12(15)13(11)10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3
InChIKeyWPNVRWXUJKMBPJ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(methylamino)-2-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

Related Compounds

Mephedrone
CID 45266826
Monomethylpropion
CID 1576
2-Methylamino-1,4-naphthoquinone
CID 464135
Buphedrone
CID 53249194
Pentedrone
CID 57501499
3-(Benzylamino)cyclohex-2-en-1-one
CID 319575
3-Methylmethcathinone
CID 71741532
N-Ethylhexedrone
CID 134822125
(S)-(-)-Methcathinone
CID 22815141
3-{[3-(Dimethylamino)propyl]amino}-5-phenylcyclohex-2-en-1-one
CID 4534458
(+)-Methcathinone
CID 24011714
2-(Ethylamino)-1-phenyl-1-pentanone
CID 205593

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(methylamino)-2-phenylcyclohex-2-en-1-one (CID 131847395) is 3-(methylamino)-2-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(methylamino)-2-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(methylamino)-2-phenylcyclohex-2-en-1-one is CNC1=C(c2ccccc2)C(=O)CCC1.
What is the InChIKey of 3-(methylamino)-2-phenylcyclohex-2-en-1-one?
The InChIKey is WPNVRWXUJKMBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-14-11-8-5-9-12(15)13(11)10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3.
What are the key properties of 3-(methylamino)-2-phenylcyclohex-2-en-1-one?
3-(methylamino)-2-phenylcyclohex-2-en-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 131847395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).