5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one

C15H24N2O2 — CID 114281643

IUPAC5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CN2CCCC2C2CCCCC2=O)N1
InChIInChI=1S/C15H24N2O2/c18-14-6-2-1-4-12(14)13-5-3-9-17(13)10-11-7-8-15(19)16-11/h11-13H,1-10H2,(H,16,19)
InChIKeyDLDQRRGCRQPIMC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.49
Rot. Bonds3

About 5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one

5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 114281643) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one
PubChem CID114281643
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CN2CCCC2C2CCCCC2=O)N1
InChIInChI=1S/C15H24N2O2/c18-14-6-2-1-4-12(14)13-5-3-9-17(13)10-11-7-8-15(19)16-11/h11-13H,1-10H2,(H,16,19)
InChIKeyDLDQRRGCRQPIMC-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclobutylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553179
2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79548618
2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide
CID 79552802
2-(1-ethylpyrrolidin-2-yl)cyclopentan-1-one
CID 79543714
2-[1-(2-methoxyethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553024
2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546607
5-[[2-(2-oxocyclopentyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 79545472
2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103409847
2-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114472642
methyl 4-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]butanoate
CID 79548843
2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79544634
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptan-1-one
CID 102728227

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one (CID 114281643) is 5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one is O=C1CCC(CN2CCCC2C2CCCCC2=O)N1.
What is the InChIKey of 5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is DLDQRRGCRQPIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-14-6-2-1-4-12(14)13-5-3-9-17(13)10-11-7-8-15(19)16-11/h11-13H,1-10H2,(H,16,19).
What are the key properties of 5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one?
5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-oxocyclohexyl)pyrrolidin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 114281643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).