1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one

C12H16N2O2 — CID 84685733

IUPAC1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one
SMILESO=c1ccn(C2CC2)cc1OC1CCNC1
InChIInChI=1S/C12H16N2O2/c15-11-4-6-14(9-1-2-9)8-12(11)16-10-3-5-13-7-10/h4,6,8-10,13H,1-3,5,7H2
InChIKeyZMHCRVWXMGAGCT-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.92
Rot. Bonds3

About 1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one

1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one (PubChem CID 84685733) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one
PubChem CID84685733
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one
SMILESO=c1ccn(C2CC2)cc1OC1CCNC1
InChIInChI=1S/C12H16N2O2/c15-11-4-6-14(9-1-2-9)8-12(11)16-10-3-5-13-7-10/h4,6,8-10,13H,1-3,5,7H2
InChIKeyZMHCRVWXMGAGCT-UHFFFAOYSA-N
XLogP0.92
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one?
The IUPAC name of 1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one (CID 84685733) is 1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one?
The canonical SMILES for 1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one is O=c1ccn(C2CC2)cc1OC1CCNC1.
What is the InChIKey of 1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one?
The InChIKey is ZMHCRVWXMGAGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-4-6-14(9-1-2-9)8-12(11)16-10-3-5-13-7-10/h4,6,8-10,13H,1-3,5,7H2.
What are the key properties of 1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one?
1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one has a molecular weight of 220.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one is sourced from PubChem (CID 84685733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).