3-pyrrolidin-3-yloxy-1H-pyridin-4-one

C9H12N2O2 — CID 84657331

IUPAC3-pyrrolidin-3-yloxy-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1OC1CCNC1
InChIInChI=1S/C9H12N2O2/c12-8-2-4-11-6-9(8)13-7-1-3-10-5-7/h2,4,6-7,10H,1,3,5H2,(H,11,12)
InChIKeyYVTFUOBKICJPEU-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.12
Rot. Bonds2

About 3-pyrrolidin-3-yloxy-1H-pyridin-4-one

3-pyrrolidin-3-yloxy-1H-pyridin-4-one (PubChem CID 84657331) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-pyrrolidin-3-yloxy-1H-pyridin-4-one.

Molecular Properties

Compound Name3-pyrrolidin-3-yloxy-1H-pyridin-4-one
PubChem CID84657331
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-pyrrolidin-3-yloxy-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1OC1CCNC1
InChIInChI=1S/C9H12N2O2/c12-8-2-4-11-6-9(8)13-7-1-3-10-5-7/h2,4,6-7,10H,1,3,5H2,(H,11,12)
InChIKeyYVTFUOBKICJPEU-UHFFFAOYSA-N
XLogP0.12
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yloxy-1H-pyridin-4-one?
The IUPAC name of 3-pyrrolidin-3-yloxy-1H-pyridin-4-one (CID 84657331) is 3-pyrrolidin-3-yloxy-1H-pyridin-4-one.
What is the SMILES notation for 3-pyrrolidin-3-yloxy-1H-pyridin-4-one?
The canonical SMILES for 3-pyrrolidin-3-yloxy-1H-pyridin-4-one is O=c1cc[nH]cc1OC1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-yloxy-1H-pyridin-4-one?
The InChIKey is YVTFUOBKICJPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-2-4-11-6-9(8)13-7-1-3-10-5-7/h2,4,6-7,10H,1,3,5H2,(H,11,12).
What are the key properties of 3-pyrrolidin-3-yloxy-1H-pyridin-4-one?
3-pyrrolidin-3-yloxy-1H-pyridin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yloxy-1H-pyridin-4-one is sourced from PubChem (CID 84657331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).