3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one

C10H14N2O2 — CID 84665473

IUPAC3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1OCC1CCCN1
InChIInChI=1S/C10H14N2O2/c13-9-3-5-11-6-10(9)14-7-8-2-1-4-12-8/h3,5-6,8,12H,1-2,4,7H2,(H,11,13)
InChIKeySGKJZLQHLNZCJC-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.51
Rot. Bonds3

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

3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one (PubChem CID 84665473) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one
PubChem CID84665473
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1OCC1CCCN1
InChIInChI=1S/C10H14N2O2/c13-9-3-5-11-6-10(9)14-7-8-2-1-4-12-8/h3,5-6,8,12H,1-2,4,7H2,(H,11,13)
InChIKeySGKJZLQHLNZCJC-UHFFFAOYSA-N
XLogP0.51
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one?
The IUPAC name of 3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one (CID 84665473) is 3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one is O=c1cc[nH]cc1OCC1CCCN1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one?
The InChIKey is SGKJZLQHLNZCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-3-5-11-6-10(9)14-7-8-2-1-4-12-8/h3,5-6,8,12H,1-2,4,7H2,(H,11,13).
What are the key properties of 3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one?
3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 84665473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).