6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

C10H12N2O3 — CID 107262059

IUPAC6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CC[C@H](O)C1
InChIInChI=1S/C10H12N2O3/c13-7-4-5-12(6-7)10(15)8-2-1-3-9(14)11-8/h1-3,7,13H,4-6H2,(H,11,14)/t7-/m0/s1
InChIKeyHWWYBLJLWIRJLU-ZETCQYMHSA-N
MW208.22 g/mol
LogP-0.42
Rot. Bonds1

About 6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 107262059) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID107262059
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CC[C@H](O)C1
InChIInChI=1S/C10H12N2O3/c13-7-4-5-12(6-7)10(15)8-2-1-3-9(14)11-8/h1-3,7,13H,4-6H2,(H,11,14)/t7-/m0/s1
InChIKeyHWWYBLJLWIRJLU-ZETCQYMHSA-N
XLogP-0.42
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 107262059) is 6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cccc(=O)[nH]1)N1CC[C@H](O)C1.
What is the InChIKey of 6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is HWWYBLJLWIRJLU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-7-4-5-12(6-7)10(15)8-2-1-3-9(14)11-8/h1-3,7,13H,4-6H2,(H,11,14)/t7-/m0/s1.
What are the key properties of 6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 208.22 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 107262059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).