2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one

C13H18N2O4 — CID 16853128

IUPAC2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one
SMILESCOc1cn(CC(=O)N2CCCC2)c(CO)cc1=O
InChIInChI=1S/C13H18N2O4/c1-19-12-7-15(10(9-16)6-11(12)17)8-13(18)14-4-2-3-5-14/h6-7,16H,2-5,8-9H2,1H3
InChIKeyLBRCYGRKASUZCF-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.03
Rot. Bonds4

About 2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one

2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one (PubChem CID 16853128) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one
PubChem CID16853128
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one
SMILESCOc1cn(CC(=O)N2CCCC2)c(CO)cc1=O
InChIInChI=1S/C13H18N2O4/c1-19-12-7-15(10(9-16)6-11(12)17)8-13(18)14-4-2-3-5-14/h6-7,16H,2-5,8-9H2,1H3
InChIKeyLBRCYGRKASUZCF-UHFFFAOYSA-N
XLogP-0.03
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one (CID 16853128) is 2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one is COc1cn(CC(=O)N2CCCC2)c(CO)cc1=O.
What is the InChIKey of 2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one?
The InChIKey is LBRCYGRKASUZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-12-7-15(10(9-16)6-11(12)17)8-13(18)14-4-2-3-5-14/h6-7,16H,2-5,8-9H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one?
2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one has a molecular weight of 266.30 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methoxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one is sourced from PubChem (CID 16853128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).