2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone

C11H19NO3 — CID 106671365

IUPAC2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CC1CCCC1)N1CC(O)C(O)C1
InChIInChI=1S/C11H19NO3/c13-9-6-12(7-10(9)14)11(15)5-8-3-1-2-4-8/h8-10,13-14H,1-7H2
InChIKeyHYUXGDSVLMAELK-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.13
Rot. Bonds2

About 2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone

2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone (PubChem CID 106671365) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
PubChem CID106671365
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CC1CCCC1)N1CC(O)C(O)C1
InChIInChI=1S/C11H19NO3/c13-9-6-12(7-10(9)14)11(15)5-8-3-1-2-4-8/h8-10,13-14H,1-7H2
InChIKeyHYUXGDSVLMAELK-UHFFFAOYSA-N
XLogP0.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 110108066
(3S,4S)-1-(2-cyclohexylacetyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950466
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone
CID 79403357
2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 157039323
1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone
CID 103576127
2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 130991866
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
1-(3-bromopiperidin-1-yl)-2-cyclohexylethanone
CID 80661364
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
1-[(3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-cyclopentylethanone
CID 136581394

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone (CID 106671365) is 2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone is O=C(CC1CCCC1)N1CC(O)C(O)C1.
What is the InChIKey of 2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone?
The InChIKey is HYUXGDSVLMAELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-9-6-12(7-10(9)14)11(15)5-8-3-1-2-4-8/h8-10,13-14H,1-7H2.
What are the key properties of 2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone?
2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone has a molecular weight of 213.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 106671365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).