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

C11H17ClN2O2 — CID 88790433

IUPAC6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride
SMILESCc1cc(=O)[nH]c(O)c1[N+]1(C)CCCC1.[Cl-]
InChIInChI=1S/C11H16N2O2.ClH/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);1H
InChIKeyYUMUDMPKMZAMQG-UHFFFAOYSA-N
MW244.72 g/mol
LogP-1.88
Rot. Bonds1

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

6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride (PubChem CID 88790433) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride
PubChem CID88790433
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride
SMILESCc1cc(=O)[nH]c(O)c1[N+]1(C)CCCC1.[Cl-]
InChIInChI=1S/C11H16N2O2.ClH/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);1H
InChIKeyYUMUDMPKMZAMQG-UHFFFAOYSA-N
XLogP-1.88
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 5-1.88
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 chloride?
The IUPAC name of 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride (CID 88790433) is 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride?
The canonical SMILES for 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride is Cc1cc(=O)[nH]c(O)c1[N+]1(C)CCCC1.[Cl-].
What is the InChIKey of 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride?
The InChIKey is YUMUDMPKMZAMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/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);1H.
What are the key properties of 6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride?
6-hydroxy-4-methyl-5-(1-methylpyrrolidin-1-ium-1-yl)-1H-pyridin-2-one chloride has a molecular weight of 244.72 g/mol, XLogP of -1.88, 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 chloride is sourced from PubChem (CID 88790433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).