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

C11H16N2O2 — CID 84676157

IUPAC1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
SMILESCn1ccc(=O)c(OCC2CCNC2)c1
InChIInChI=1S/C11H16N2O2/c1-13-5-3-10(14)11(7-13)15-8-9-2-4-12-6-9/h3,5,7,9,12H,2,4,6,8H2,1H3
InChIKeyWGVFGNGTBILNEP-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.37
Rot. Bonds3

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

1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one (PubChem CID 84676157) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
PubChem CID84676157
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
SMILESCn1ccc(=O)c(OCC2CCNC2)c1
InChIInChI=1S/C11H16N2O2/c1-13-5-3-10(14)11(7-13)15-8-9-2-4-12-6-9/h3,5,7,9,12H,2,4,6,8H2,1H3
InChIKeyWGVFGNGTBILNEP-UHFFFAOYSA-N
XLogP0.37
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Oxolan-3-ylmethylamino)ethyl]pyridin-4-one
CID 62881045
1-Methyl-3-pyrrolidin-3-yloxypyridin-4-one
CID 84665470
3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one
CID 84665474
3-(Pyrrolidin-3-ylmethoxy)pyran-4-one
CID 84666012
2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one
CID 84676156
1-Propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one
CID 84687730
1,2-Dimethyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
CID 84687734
1-Methyl-3-(piperidin-4-ylmethoxy)pyridin-4-one
CID 84687740
1-Cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
CID 84697700
1-Propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
CID 84699530

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The IUPAC name of 1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one (CID 84676157) is 1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one.
What is the SMILES notation for 1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The canonical SMILES for 1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one is Cn1ccc(=O)c(OCC2CCNC2)c1.
What is the InChIKey of 1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The InChIKey is WGVFGNGTBILNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-5-3-10(14)11(7-13)15-8-9-2-4-12-6-9/h3,5,7,9,12H,2,4,6,8H2,1H3.
What are the key properties of 1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one is sourced from PubChem (CID 84676157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).