6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one

C11H17N2O2+ — CID 88790434

IUPAC6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(O)c1[N+]1(C)CCCC1
InChIInChI=1S/C11H16N2O2/c1-8-7-9(14)12-11(15)10(8)13(2)5-3-4-6-13/h7H,3-6H2,1-2H3,(H-,12,14,15)/p+1
InChIKeyPOKQGTJLJSQWGK-UHFFFAOYSA-O
MW209.27 g/mol
LogP1.12
Rot. Bonds1

About 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one

6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one (PubChem CID 88790434) has the molecular formula C11H17N2O2+ and a molecular weight of 209.27 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one
PubChem CID88790434
Molecular FormulaC11H17N2O2+
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(O)c1[N+]1(C)CCCC1
InChIInChI=1S/C11H16N2O2/c1-8-7-9(14)12-11(15)10(8)13(2)5-3-4-6-13/h7H,3-6H2,1-2H3,(H-,12,14,15)/p+1
InChIKeyPOKQGTJLJSQWGK-UHFFFAOYSA-O
XLogP1.12
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one?
The IUPAC name of 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one (CID 88790434) is 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one is Cc1cc(=O)[nH]c(O)c1[N+]1(C)CCCC1.
What is the InChIKey of 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one?
The InChIKey is POKQGTJLJSQWGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-9(14)12-11(15)10(8)13(2)5-3-4-6-13/h7H,3-6H2,1-2H3,(H-,12,14,15)/p+1.
What are the key properties of 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one?
6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one has a molecular weight of 209.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 88790434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).