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

C13H20N2O2 — CID 84699530

IUPAC1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
SMILESCC(C)n1ccc(=O)c(OCC2CCNC2)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-6-4-12(16)13(8-15)17-9-11-3-5-14-7-11/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3
InChIKeyQCCGGPFBJQFDDR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.42
Rot. Bonds4

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

1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one (PubChem CID 84699530) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
PubChem CID84699530
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
SMILESCC(C)n1ccc(=O)c(OCC2CCNC2)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-6-4-12(16)13(8-15)17-9-11-3-5-14-7-11/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3
InChIKeyQCCGGPFBJQFDDR-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The IUPAC name of 1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one (CID 84699530) is 1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one.
What is the SMILES notation for 1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The canonical SMILES for 1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one is CC(C)n1ccc(=O)c(OCC2CCNC2)c1.
What is the InChIKey of 1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The InChIKey is QCCGGPFBJQFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)15-6-4-12(16)13(8-15)17-9-11-3-5-14-7-11/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
1-propan-2-yl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one has a molecular weight of 236.31 g/mol, XLogP of 1.42, 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-3-ylmethoxy)pyridin-4-one is sourced from PubChem (CID 84699530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).