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

C13H21NO — CID 104788374

IUPAC3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one
SMILESCCC1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C13H21NO/c1-2-10-3-5-11(6-4-10)14-12-7-8-13(15)9-12/h9-11,14H,2-8H2,1H3
InChIKeyVIQITEXNUCVTMV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.79
Rot. Bonds3

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

3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one (PubChem CID 104788374) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one
PubChem CID104788374
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one
SMILESCCC1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C13H21NO/c1-2-10-3-5-11(6-4-10)14-12-7-8-13(15)9-12/h9-11,14H,2-8H2,1H3
InChIKeyVIQITEXNUCVTMV-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-3-(octylamino)cyclohex-2-en-1-one
CID 3448281
3-(Cyclohexylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 137041
(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-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
CID 13283163
2-ethyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
CID 20757754
3-(Cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 66701411
3-(2-Ethylhexylamino)cyclohex-2-en-1-one
CID 71226356
(E)-6-cyclohexyl-5-(methylamino)hex-5-en-2-one
CID 141773214
ethane;(Z)-5-[(3-methylcyclohexyl)methylamino]hex-4-en-3-one
CID 142284427

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one (CID 104788374) is 3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one is CCC1CCC(NC2=CC(=O)CC2)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one?
The InChIKey is VIQITEXNUCVTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-10-3-5-11(6-4-10)14-12-7-8-13(15)9-12/h9-11,14H,2-8H2,1H3.
What are the key properties of 3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one?
3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).