1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone

C13H21NO2 — CID 143064094

IUPAC1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1[C@@H](C2CCCC2)CCN1C(C)=O
InChIInChI=1S/C13H21NO2/c1-9(15)13-12(11-5-3-4-6-11)7-8-14(13)10(2)16/h11-13H,3-8H2,1-2H3/t12-,13-/m1/s1
InChIKeyBYVAENGJUXCOPP-CHWSQXEVSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds2

About 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone

1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone (PubChem CID 143064094) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone
PubChem CID143064094
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1[C@@H](C2CCCC2)CCN1C(C)=O
InChIInChI=1S/C13H21NO2/c1-9(15)13-12(11-5-3-4-6-11)7-8-14(13)10(2)16/h11-13H,3-8H2,1-2H3/t12-,13-/m1/s1
InChIKeyBYVAENGJUXCOPP-CHWSQXEVSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone with MolForge

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Related Compounds

1-[(2S,3S)-1-acetyl-3-(cyclopentylmethyl)pyrrolidin-2-yl]ethanone
CID 143104782
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
1-(2-cyclopentylcyclopropyl)ethanone
CID 62313246
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
1-[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 7107075
(2R,3R)-3-cyclobutyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86337811
3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 167732428
1-(2-hydroxypiperidin-1-yl)ethanone
CID 70448488
1-[(1S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethanone
CID 177221987
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide
CID 118262712

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone (CID 143064094) is 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1[C@@H](C2CCCC2)CCN1C(C)=O.
What is the InChIKey of 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone?
The InChIKey is BYVAENGJUXCOPP-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(15)13-12(11-5-3-4-6-11)7-8-14(13)10(2)16/h11-13H,3-8H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone?
1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone has a molecular weight of 223.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 143064094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).