3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one

C12H19NO — CID 104788218

IUPAC3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one
SMILESCC1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C12H19NO/c1-9-2-4-10(5-3-9)13-11-6-7-12(14)8-11/h8-10,13H,2-7H2,1H3
InChIKeyPZKNOFQRRITKNX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.40
Rot. Bonds2

About 3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one

3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one (PubChem CID 104788218) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one
PubChem CID104788218
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one
SMILESCC1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C12H19NO/c1-9-2-4-10(5-3-9)13-11-6-7-12(14)8-11/h8-10,13H,2-7H2,1H3
InChIKeyPZKNOFQRRITKNX-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

3-(Cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 2856644
3-(Cyclohexylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 137041
5,5-Dimethyl-3-(i-propylamino)cyclohex-2-en-1-one
CID 144925
3-(Butan-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 86060860
5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one
CID 144994
(E)-4-(2-ethylhexylamino)pent-3-en-2-one
CID 5355544
1,2,3,4,4a,5-Hexahydrocyclopenta[b]pyridin-6-one
CID 164669321
3-[(2,2,6,6-Tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one
CID 5336435
3-[(2-Ethylhexyl)amino]-5,5-dimethyl-2-cyclohexen-1-one
CID 5095009
2-ethyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
CID 20757754
2,3,6-trimethyl-2,3-dihydro-1H-pyridin-4-one
CID 60093644
3-(Cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 66701411

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one (CID 104788218) is 3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one is CC1CCC(NC2=CC(=O)CC2)CC1.
What is the InChIKey of 3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one?
The InChIKey is PZKNOFQRRITKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-2-4-10(5-3-9)13-11-6-7-12(14)8-11/h8-10,13H,2-7H2,1H3.
What are the key properties of 3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one?
3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylcyclohexyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).