6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one

C9H12N2O2 — CID 131036741

IUPAC6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one
SMILESO=c1cc([C@H]2CCCN2)cc(O)[nH]1
InChIInChI=1S/C9H12N2O2/c12-8-4-6(5-9(13)11-8)7-2-1-3-10-7/h4-5,7,10H,1-3H2,(H2,11,12,13)/t7-/m1/s1
InChIKeyCBYXNOQLYSMABK-SSDOTTSWSA-N
MW180.21 g/mol
LogP0.50
Rot. Bonds1

About 6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one

6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one (PubChem CID 131036741) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one
PubChem CID131036741
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one
SMILESO=c1cc([C@H]2CCCN2)cc(O)[nH]1
InChIInChI=1S/C9H12N2O2/c12-8-4-6(5-9(13)11-8)7-2-1-3-10-7/h4-5,7,10H,1-3H2,(H2,11,12,13)/t7-/m1/s1
InChIKeyCBYXNOQLYSMABK-SSDOTTSWSA-N
XLogP0.50
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one (CID 131036741) is 6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one is O=c1cc([C@H]2CCCN2)cc(O)[nH]1.
What is the InChIKey of 6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one?
The InChIKey is CBYXNOQLYSMABK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-4-6(5-9(13)11-8)7-2-1-3-10-7/h4-5,7,10H,1-3H2,(H2,11,12,13)/t7-/m1/s1.
What are the key properties of 6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one?
6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 131036741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).