2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one

C12H16N2O4 — CID 82063852

IUPAC2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
SMILESO=C(COc1c[nH]c(CO)cc1=O)N1CCCC1
InChIInChI=1S/C12H16N2O4/c15-7-9-5-10(16)11(6-13-9)18-8-12(17)14-3-1-2-4-14/h5-6,15H,1-4,7-8H2,(H,13,16)
InChIKeyKAOGOJNEHAYXNV-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.13
Rot. Bonds4

About 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one

2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one (PubChem CID 82063852) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
PubChem CID82063852
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
SMILESO=C(COc1c[nH]c(CO)cc1=O)N1CCCC1
InChIInChI=1S/C12H16N2O4/c15-7-9-5-10(16)11(6-13-9)18-8-12(17)14-3-1-2-4-14/h5-6,15H,1-4,7-8H2,(H,13,16)
InChIKeyKAOGOJNEHAYXNV-UHFFFAOYSA-N
XLogP-0.13
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one (CID 82063852) is 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one is O=C(COc1c[nH]c(CO)cc1=O)N1CCCC1.
What is the InChIKey of 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The InChIKey is KAOGOJNEHAYXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-7-9-5-10(16)11(6-13-9)18-8-12(17)14-3-1-2-4-14/h5-6,15H,1-4,7-8H2,(H,13,16).
What are the key properties of 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one has a molecular weight of 252.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82063852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).