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

C13H18N2O2 — CID 84697700

IUPAC1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
SMILESO=c1ccn(C2CC2)cc1OCC1CCNC1
InChIInChI=1S/C13H18N2O2/c16-12-4-6-15(11-1-2-11)8-13(12)17-9-10-3-5-14-7-10/h4,6,8,10-11,14H,1-3,5,7,9H2
InChIKeyZKAWBUMQHXPTRH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.17
Rot. Bonds4

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

1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one (PubChem CID 84697700) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
PubChem CID84697700
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
SMILESO=c1ccn(C2CC2)cc1OCC1CCNC1
InChIInChI=1S/C13H18N2O2/c16-12-4-6-15(11-1-2-11)8-13(12)17-9-10-3-5-14-7-10/h4,6,8,10-11,14H,1-3,5,7,9H2
InChIKeyZKAWBUMQHXPTRH-UHFFFAOYSA-N
XLogP1.17
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
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-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The IUPAC name of 1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one (CID 84697700) is 1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The canonical SMILES for 1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one is O=c1ccn(C2CC2)cc1OCC1CCNC1.
What is the InChIKey of 1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
The InChIKey is ZKAWBUMQHXPTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12-4-6-15(11-1-2-11)8-13(12)17-9-10-3-5-14-7-10/h4,6,8,10-11,14H,1-3,5,7,9H2.
What are the key properties of 1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one?
1-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one has a molecular weight of 234.30 g/mol, XLogP of 1.17, 4 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-ylmethoxy)pyridin-4-one is sourced from PubChem (CID 84697700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).