2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one

C18H29NO2 — CID 79539486

IUPAC2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C18H29NO2/c20-17-10-4-3-8-15(17)16-9-5-13-19(16)18(21)12-11-14-6-1-2-7-14/h14-16H,1-13H2
InChIKeyFEPDONHSPBHWRD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.71
Rot. Bonds4

About 2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79539486) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79539486
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C18H29NO2/c20-17-10-4-3-8-15(17)16-9-5-13-19(16)18(21)12-11-14-6-1-2-7-14/h14-16H,1-13H2
InChIKeyFEPDONHSPBHWRD-UHFFFAOYSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one
CID 103163775
(2S)-2-[(2R)-1-(2-cyclobutylacetyl)azepan-2-yl]cyclohexan-1-one
CID 124887668
2-(1-octanoylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539477
2-(1-butanoylpiperidin-2-yl)cyclopentan-1-one
CID 79545289
2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
CID 79553408
2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547559
2-(1-octanoylpyrrolidin-2-yl)cyclopentan-1-one
CID 79548429
2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 103874951
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546344
2,2,2-trifluoroethyl N-[3-oxo-3-[(2R)-2-[(1R)-2-oxocyclohexyl]pyrrolidin-1-yl]propyl]carbamate
CID 95975206
(3S)-3-[3-oxo-3-[(2S)-2-[(1S)-2-oxocyclohexyl]azepan-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 124732266
2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one
CID 79544925

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 79539486) is 2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1C(=O)CCC1CCCC1.
What is the InChIKey of 2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is FEPDONHSPBHWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c20-17-10-4-3-8-15(17)16-9-5-13-19(16)18(21)12-11-14-6-1-2-7-14/h14-16H,1-13H2.
What are the key properties of 2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 291.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79539486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).