2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one

C11H16N2O2 — CID 84676154

IUPAC2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCC1CCCN1
InChIInChI=1S/C11H16N2O2/c1-8-11(10(14)4-6-12-8)15-7-9-3-2-5-13-9/h4,6,9,13H,2-3,5,7H2,1H3,(H,12,14)
InChIKeyGZUZSINCGHHWCO-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.81
Rot. Bonds3

About 2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one

2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one (PubChem CID 84676154) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one
PubChem CID84676154
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCC1CCCN1
InChIInChI=1S/C11H16N2O2/c1-8-11(10(14)4-6-12-8)15-7-9-3-2-5-13-9/h4,6,9,13H,2-3,5,7H2,1H3,(H,12,14)
InChIKeyGZUZSINCGHHWCO-UHFFFAOYSA-N
XLogP0.81
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one (CID 84676154) is 2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCC1CCCN1.
What is the InChIKey of 2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one?
The InChIKey is GZUZSINCGHHWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-11(10(14)4-6-12-8)15-7-9-3-2-5-13-9/h4,6,9,13H,2-3,5,7H2,1H3,(H,12,14).
What are the key properties of 2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one?
2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 84676154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).