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

C12H18N2O3 — CID 82063899

IUPAC2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]cc1OCCN1CCCC1
InChIInChI=1S/C12H18N2O3/c15-9-10-7-11(16)12(8-13-10)17-6-5-14-3-1-2-4-14/h7-8,15H,1-6,9H2,(H,13,16)
InChIKeyCHDLDSPIKNULBT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.34
Rot. Bonds5

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

2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one (PubChem CID 82063899) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
PubChem CID82063899
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]cc1OCCN1CCCC1
InChIInChI=1S/C12H18N2O3/c15-9-10-7-11(16)12(8-13-10)17-6-5-14-3-1-2-4-14/h7-8,15H,1-6,9H2,(H,13,16)
InChIKeyCHDLDSPIKNULBT-UHFFFAOYSA-N
XLogP0.34
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.34
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-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one (CID 82063899) is 2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one is O=c1cc(CO)[nH]cc1OCCN1CCCC1.
What is the InChIKey of 2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The InChIKey is CHDLDSPIKNULBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-9-10-7-11(16)12(8-13-10)17-6-5-14-3-1-2-4-14/h7-8,15H,1-6,9H2,(H,13,16).
What are the key properties of 2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one has a molecular weight of 238.29 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82063899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).