3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one

C10H12N2O4 — CID 106671277

IUPAC3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H12N2O4/c13-7-4-12(5-8(7)14)10(16)6-2-1-3-11-9(6)15/h1-3,7-8,13-14H,4-5H2,(H,11,15)
InChIKeyICNCILGBCYIVAT-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.45
Rot. Bonds1

About 3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one

3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 106671277) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID106671277
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H12N2O4/c13-7-4-12(5-8(7)14)10(16)6-2-1-3-11-9(6)15/h1-3,7-8,13-14H,4-5H2,(H,11,15)
InChIKeyICNCILGBCYIVAT-UHFFFAOYSA-N
XLogP-1.45
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one
CID 63763273
3-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 115775390
3-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 25333485
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one
CID 110156204
methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919707
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one
CID 126893294
2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]benzoic acid
CID 107214692
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 166615901

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one (CID 106671277) is 3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CC(O)C(O)C1.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is ICNCILGBCYIVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-7-4-12(5-8(7)14)10(16)6-2-1-3-11-9(6)15/h1-3,7-8,13-14H,4-5H2,(H,11,15).
What are the key properties of 3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one?
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 224.22 g/mol, XLogP of -1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 106671277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).