2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone

C11H19NO — CID 59628860

IUPAC2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCC1)[C@@H]1CCCN1
InChIInChI=1S/C11H19NO/c13-11(10-6-3-7-12-10)8-9-4-1-2-5-9/h9-10,12H,1-8H2/t10-/m0/s1
InChIKeyOEJOOTBLGHZIBD-JTQLQIEISA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds3

About 2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone

2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone (PubChem CID 59628860) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone
PubChem CID59628860
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCC1)[C@@H]1CCCN1
InChIInChI=1S/C11H19NO/c13-11(10-6-3-7-12-10)8-9-4-1-2-5-9/h9-10,12H,1-8H2/t10-/m0/s1
InChIKeyOEJOOTBLGHZIBD-JTQLQIEISA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-piperidin-2-ylethanone
CID 119030480
2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone
CID 130596842
2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone
CID 88656601
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
2-bromo-1-piperidin-2-ylethanone;hydrobromide
CID 140676583
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
2-hydroxy-1-[(2S)-piperidin-2-yl]ethanone;(2S)-piperidine-2-carboxylic acid;hydrochloride
CID 160529699
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone (CID 59628860) is 2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone is O=C(CC1CCCC1)[C@@H]1CCCN1.
What is the InChIKey of 2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone?
The InChIKey is OEJOOTBLGHZIBD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO/c13-11(10-6-3-7-12-10)8-9-4-1-2-5-9/h9-10,12H,1-8H2/t10-/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone?
2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59628860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).