3-(cyclohexylmethylamino)cyclopent-2-en-1-one

C12H19NO — CID 104788239

IUPAC3-(cyclohexylmethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCC2CCCCC2)CC1
InChIInChI=1S/C12H19NO/c14-12-7-6-11(8-12)13-9-10-4-2-1-3-5-10/h8,10,13H,1-7,9H2
InChIKeyVVGRZSKDMWFDGF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.40
Rot. Bonds3

About 3-(cyclohexylmethylamino)cyclopent-2-en-1-one

3-(cyclohexylmethylamino)cyclopent-2-en-1-one (PubChem CID 104788239) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)cyclopent-2-en-1-one
PubChem CID104788239
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(cyclohexylmethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCC2CCCCC2)CC1
InChIInChI=1S/C12H19NO/c14-12-7-6-11(8-12)13-9-10-4-2-1-3-5-10/h8,10,13H,1-7,9H2
InChIKeyVVGRZSKDMWFDGF-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(cyclohexylmethylamino)cyclopent-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

5,5-Dimethyl-3-(n-propylamino)cyclohex-2-en-1-one
CID 143371
ST50979434
CID 319578
3-(Ethylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 280256
3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 319577
1,2,3,3a,4,5-Hexahydro-6H-indol-6-one
CID 55288471
Hexahydroindol-4-one
CID 129823161
5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one
CID 144994
5,5-Dimethyl-3-(n-pentylamino)cyclohex-2-en-1-one
CID 144995
(E)-4-(2-ethylhexylamino)pent-3-en-2-one
CID 5355544
3-Isobutylamino-cyclohex-2-enone
CID 21625916
1,2,3,4,4a,5-Hexahydrocyclopenta[b]pyridin-6-one
CID 164669321
3-[(2-Ethylhexyl)amino]-5,5-dimethyl-2-cyclohexen-1-one
CID 5095009

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(cyclohexylmethylamino)cyclopent-2-en-1-one (CID 104788239) is 3-(cyclohexylmethylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(cyclohexylmethylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(cyclohexylmethylamino)cyclopent-2-en-1-one is O=C1C=C(NCC2CCCCC2)CC1.
What is the InChIKey of 3-(cyclohexylmethylamino)cyclopent-2-en-1-one?
The InChIKey is VVGRZSKDMWFDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12-7-6-11(8-12)13-9-10-4-2-1-3-5-10/h8,10,13H,1-7,9H2.
What are the key properties of 3-(cyclohexylmethylamino)cyclopent-2-en-1-one?
3-(cyclohexylmethylamino)cyclopent-2-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 104788239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).