4-[4-(methylamino)phenyl]cyclohex-3-en-1-one

C13H15NO — CID 167046174

IUPAC4-[4-(methylamino)phenyl]cyclohex-3-en-1-one
SMILESCNc1ccc(C2=CCC(=O)CC2)cc1
InChIInChI=1S/C13H15NO/c1-14-12-6-2-10(3-7-12)11-4-8-13(15)9-5-11/h2-4,6-7,14H,5,8-9H2,1H3
InChIKeyBMIVDKFCAKYPSG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.86
Rot. Bonds2

About 4-[4-(methylamino)phenyl]cyclohex-3-en-1-one

4-[4-(methylamino)phenyl]cyclohex-3-en-1-one (PubChem CID 167046174) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[4-(methylamino)phenyl]cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-[4-(methylamino)phenyl]cyclohex-3-en-1-one
PubChem CID167046174
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-[4-(methylamino)phenyl]cyclohex-3-en-1-one
SMILESCNc1ccc(C2=CCC(=O)CC2)cc1
InChIInChI=1S/C13H15NO/c1-14-12-6-2-10(3-7-12)11-4-8-13(15)9-5-11/h2-4,6-7,14H,5,8-9H2,1H3
InChIKeyBMIVDKFCAKYPSG-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-(methylamino)phenyl]cyclohex-3-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 4-[4-(methylamino)phenyl]cyclohex-3-en-1-one?
The IUPAC name of 4-[4-(methylamino)phenyl]cyclohex-3-en-1-one (CID 167046174) is 4-[4-(methylamino)phenyl]cyclohex-3-en-1-one.
What is the SMILES notation for 4-[4-(methylamino)phenyl]cyclohex-3-en-1-one?
The canonical SMILES for 4-[4-(methylamino)phenyl]cyclohex-3-en-1-one is CNc1ccc(C2=CCC(=O)CC2)cc1.
What is the InChIKey of 4-[4-(methylamino)phenyl]cyclohex-3-en-1-one?
The InChIKey is BMIVDKFCAKYPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-14-12-6-2-10(3-7-12)11-4-8-13(15)9-5-11/h2-4,6-7,14H,5,8-9H2,1H3.
What are the key properties of 4-[4-(methylamino)phenyl]cyclohex-3-en-1-one?
4-[4-(methylamino)phenyl]cyclohex-3-en-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)phenyl]cyclohex-3-en-1-one is sourced from PubChem (CID 167046174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).