1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone

C11H14N2O3 — CID 106671158

IUPAC1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CC(O)C(O)C1
InChIInChI=1S/C11H14N2O3/c14-9-6-13(7-10(9)15)11(16)5-8-3-1-2-4-12-8/h1-4,9-10,14-15H,5-7H2
InChIKeyPVTLFFHTKULNIF-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.81
Rot. Bonds2

About 1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone

1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone (PubChem CID 106671158) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
PubChem CID106671158
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CC(O)C(O)C1
InChIInChI=1S/C11H14N2O3/c14-9-6-13(7-10(9)15)11(16)5-8-3-1-2-4-12-8/h1-4,9-10,14-15H,5-7H2
InChIKeyPVTLFFHTKULNIF-UHFFFAOYSA-N
XLogP-0.81
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
CID 112534802
1-[(3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridin-2-ylethanone
CID 97457942
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 91797332
1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
CID 131687605
1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 79993365
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-[(3aS,5R,6R,7aR)-5-(benzimidazol-1-yl)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-pyridin-2-ylethanone
CID 172663529
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone (CID 106671158) is 1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CC(O)C(O)C1.
What is the InChIKey of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone?
The InChIKey is PVTLFFHTKULNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-9-6-13(7-10(9)15)11(16)5-8-3-1-2-4-12-8/h1-4,9-10,14-15H,5-7H2.
What are the key properties of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone?
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone has a molecular weight of 222.24 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 106671158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).