1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one

C13H20N2O2 — CID 84699529

IUPAC1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one
SMILESCC(C)n1ccc(=O)c(OCC2CCCN2)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-7-5-12(16)13(8-15)17-9-11-4-3-6-14-11/h5,7-8,10-11,14H,3-4,6,9H2,1-2H3
InChIKeyUGBSCVBRGSLGQK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds4

About 1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one

1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one (PubChem CID 84699529) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one
PubChem CID84699529
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one
SMILESCC(C)n1ccc(=O)c(OCC2CCCN2)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-7-5-12(16)13(8-15)17-9-11-4-3-6-14-11/h5,7-8,10-11,14H,3-4,6,9H2,1-2H3
InChIKeyUGBSCVBRGSLGQK-UHFFFAOYSA-N
XLogP1.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 28750009
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CID 65274865
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
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(2S)-2-[(5-bromo-2-methylphenoxy)methyl]pyrrolidine
CID 107284582
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine
CID 102820009

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one?
The IUPAC name of 1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one (CID 84699529) is 1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one.
What is the SMILES notation for 1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one?
The canonical SMILES for 1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one is CC(C)n1ccc(=O)c(OCC2CCCN2)c1.
What is the InChIKey of 1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one?
The InChIKey is UGBSCVBRGSLGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)15-7-5-12(16)13(8-15)17-9-11-4-3-6-14-11/h5,7-8,10-11,14H,3-4,6,9H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one?
1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one has a molecular weight of 236.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one is sourced from PubChem (CID 84699529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).