2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one

C11H12N2O2 — CID 13069712

IUPAC2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(c2ccccn2)C1=O
InChIInChI=1S/C11H12N2O2/c1-7-8(2)11(15)13(10(7)14)9-5-3-4-6-12-9/h3-6,10,14H,1-2H3
InChIKeyRQJXGENMMHZOCL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.08
Rot. Bonds1

About 2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one

2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 13069712) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID13069712
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(c2ccccn2)C1=O
InChIInChI=1S/C11H12N2O2/c1-7-8(2)11(15)13(10(7)14)9-5-3-4-6-12-9/h3-6,10,14H,1-2H3
InChIKeyRQJXGENMMHZOCL-UHFFFAOYSA-N
XLogP1.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one (CID 13069712) is 2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one is CC1=C(C)C(O)N(c2ccccn2)C1=O.
What is the InChIKey of 2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is RQJXGENMMHZOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-8(2)11(15)13(10(7)14)9-5-3-4-6-12-9/h3-6,10,14H,1-2H3.
What are the key properties of 2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one?
2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 204.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dimethyl-1-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 13069712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).