6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C12H16N2O4 — CID 114799248

IUPAC6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc(O)[nH]c(=O)c1)N1CCC(CCO)C1
InChIInChI=1S/C12H16N2O4/c15-4-2-8-1-3-14(7-8)12(18)9-5-10(16)13-11(17)6-9/h5-6,8,15H,1-4,7H2,(H2,13,16,17)
InChIKeyLFFSMQWOQJNQGS-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.08
Rot. Bonds3

About 6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 114799248) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID114799248
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc(O)[nH]c(=O)c1)N1CCC(CCO)C1
InChIInChI=1S/C12H16N2O4/c15-4-2-8-1-3-14(7-8)12(18)9-5-10(16)13-11(17)6-9/h5-6,8,15H,1-4,7H2,(H2,13,16,17)
InChIKeyLFFSMQWOQJNQGS-UHFFFAOYSA-N
XLogP-0.08
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66260859
4-(4-amino-3-ethylpiperidine-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
CID 81457773
(4-amino-3,5-dichlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115869589
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 115746358
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
6-hydroxy-4-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24699091
(3-fluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746310
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746304
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 114799275
4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
CID 126892532

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 114799248) is 6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc(O)[nH]c(=O)c1)N1CCC(CCO)C1.
What is the InChIKey of 6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is LFFSMQWOQJNQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-4-2-8-1-3-14(7-8)12(18)9-5-10(16)13-11(17)6-9/h5-6,8,15H,1-4,7H2,(H2,13,16,17).
What are the key properties of 6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 252.27 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 114799248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).