1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone

C15H25NO2 — CID 104751072

IUPAC1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
SMILESO=C(CN1CC2CCC(O)C2C1)C1CCCCC1
InChIInChI=1S/C15H25NO2/c17-14-7-6-12-8-16(9-13(12)14)10-15(18)11-4-2-1-3-5-11/h11-14,17H,1-10H2
InChIKeyNTKROSNPGTZTSO-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.84
Rot. Bonds3

About 1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone

1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone (PubChem CID 104751072) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
PubChem CID104751072
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
SMILESO=C(CN1CC2CCC(O)C2C1)C1CCCCC1
InChIInChI=1S/C15H25NO2/c17-14-7-6-12-8-16(9-13(12)14)10-15(18)11-4-2-1-3-5-11/h11-14,17H,1-10H2
InChIKeyNTKROSNPGTZTSO-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone
CID 104751073
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 104749900
1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone
CID 104750832
2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399564
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 104750643
1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone
CID 114247506
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
2-amino-6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzoic acid
CID 104824853
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104751088
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone (CID 104751072) is 1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone is O=C(CN1CC2CCC(O)C2C1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
The InChIKey is NTKROSNPGTZTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-14-7-6-12-8-16(9-13(12)14)10-15(18)11-4-2-1-3-5-11/h11-14,17H,1-10H2.
What are the key properties of 1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone has a molecular weight of 251.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone is sourced from PubChem (CID 104751072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).