1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone

C12H19NO2 — CID 129355291

IUPAC1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@H]1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C12H19NO2/c1-9(14)11-6-7-13(8-11)12(15)10-4-2-3-5-10/h10-11H,2-8H2,1H3/t11-/m0/s1
InChIKeyXGAQZHMWKNOAIG-NSHDSACASA-N
MW209.29 g/mol
LogP1.61
Rot. Bonds2

About 1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone

1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone (PubChem CID 129355291) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
PubChem CID129355291
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@H]1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C12H19NO2/c1-9(14)11-6-7-13(8-11)12(15)10-4-2-3-5-10/h10-11H,2-8H2,1H3/t11-/m0/s1
InChIKeyXGAQZHMWKNOAIG-NSHDSACASA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone
CID 168882604
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
CID 114683217
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone (CID 129355291) is 1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone is CC(=O)[C@H]1CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of 1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone?
The InChIKey is XGAQZHMWKNOAIG-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(14)11-6-7-13(8-11)12(15)10-4-2-3-5-10/h10-11H,2-8H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone?
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone has a molecular weight of 209.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 129355291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).