3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one

C11H14N2O3 — CID 103337686

IUPAC3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
SMILESO=C(c1c[nH]ccc1=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H14N2O3/c14-7-8-2-1-5-13(8)11(16)9-6-12-4-3-10(9)15/h3-4,6,8,14H,1-2,5,7H2,(H,12,15)/t8-/m1/s1
InChIKeyHWLBNNGLJCJLLM-MRVPVSSYSA-N
MW222.24 g/mol
LogP-0.03
Rot. Bonds2

About 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one

3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 103337686) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
PubChem CID103337686
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
SMILESO=C(c1c[nH]ccc1=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H14N2O3/c14-7-8-2-1-5-13(8)11(16)9-6-12-4-3-10(9)15/h3-4,6,8,14H,1-2,5,7H2,(H,12,15)/t8-/m1/s1
InChIKeyHWLBNNGLJCJLLM-MRVPVSSYSA-N
XLogP-0.03
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 106741554
(2,4-dihydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261819
(2,4-dihydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030278
3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103863308
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 66261712
[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421
(4-chloro-2-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030485
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107722473
5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 118793424
(4-bromo-1H-pyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411245

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one (CID 103337686) is 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one is O=C(c1c[nH]ccc1=O)N1CCC[C@@H]1CO.
What is the InChIKey of 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is HWLBNNGLJCJLLM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-7-8-2-1-5-13(8)11(16)9-6-12-4-3-10(9)15/h3-4,6,8,14H,1-2,5,7H2,(H,12,15)/t8-/m1/s1.
What are the key properties of 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one has a molecular weight of 222.24 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 103337686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).