1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one

C12H18N2O2 — CID 84687730

IUPAC1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one
SMILESCC(C)n1ccc(=O)c(OC2CCNC2)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)14-6-4-11(15)12(8-14)16-10-3-5-13-7-10/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyCIXLQLPLWUOCAE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.17
Rot. Bonds3

About 1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one

1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one (PubChem CID 84687730) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one.

Molecular Properties

Compound Name1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one
PubChem CID84687730
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one
SMILESCC(C)n1ccc(=O)c(OC2CCNC2)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)14-6-4-11(15)12(8-14)16-10-3-5-13-7-10/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyCIXLQLPLWUOCAE-UHFFFAOYSA-N
XLogP1.17
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.17
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-yloxypyridin-4-one?
The IUPAC name of 1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one (CID 84687730) is 1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one.
What is the SMILES notation for 1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one?
The canonical SMILES for 1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one is CC(C)n1ccc(=O)c(OC2CCNC2)c1.
What is the InChIKey of 1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one?
The InChIKey is CIXLQLPLWUOCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)14-6-4-11(15)12(8-14)16-10-3-5-13-7-10/h4,6,8-10,13H,3,5,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one?
1-propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 1.17, 3 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-yloxypyridin-4-one is sourced from PubChem (CID 84687730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).