1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone

C14H23NO2 — CID 143104782

IUPAC1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1[C@@H](CC2CCCC2)CCN1C(C)=O
InChIInChI=1S/C14H23NO2/c1-10(16)14-13(7-8-15(14)11(2)17)9-12-5-3-4-6-12/h12-14H,3-9H2,1-2H3/t13-,14-/m1/s1
InChIKeyQPKBHUZATPKWNT-ZIAGYGMSSA-N
MW237.34 g/mol
LogP2.39
Rot. Bonds3

About 1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone

1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone (PubChem CID 143104782) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone
PubChem CID143104782
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1[C@@H](CC2CCCC2)CCN1C(C)=O
InChIInChI=1S/C14H23NO2/c1-10(16)14-13(7-8-15(14)11(2)17)9-12-5-3-4-6-12/h12-14H,3-9H2,1-2H3/t13-,14-/m1/s1
InChIKeyQPKBHUZATPKWNT-ZIAGYGMSSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone
CID 143064094
(2S,3S)-3-(cyclohexylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 129411995
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
2-(1,3-diacetylpyrrolidin-2-yl)prop-2-enenitrile
CID 11298692
4-(cyclopentylmethyl)-1-methylpyrrolidin-3-ol
CID 145293090
1-(2-hydroxypiperidin-1-yl)ethanone
CID 70448488
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide
CID 5256834
1-[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 7107075
1-(1-acetylpiperidin-2-yl)propan-1-one
CID 45119530

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone (CID 143104782) is 1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1[C@@H](CC2CCCC2)CCN1C(C)=O.
What is the InChIKey of 1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone?
The InChIKey is QPKBHUZATPKWNT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(16)14-13(7-8-15(14)11(2)17)9-12-5-3-4-6-12/h12-14H,3-9H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone?
1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone has a molecular weight of 237.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 143104782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).