3-pyrrolidin-3-yloxypyran-4-one

C9H11NO3 — CID 84657773

IUPAC3-pyrrolidin-3-yloxypyran-4-one
SMILESO=c1ccocc1OC1CCNC1
InChIInChI=1S/C9H11NO3/c11-8-2-4-12-6-9(8)13-7-1-3-10-5-7/h2,4,6-7,10H,1,3,5H2
InChIKeyGQNCBEAPFGIGSP-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.38
Rot. Bonds2

About 3-pyrrolidin-3-yloxypyran-4-one

3-pyrrolidin-3-yloxypyran-4-one (PubChem CID 84657773) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-pyrrolidin-3-yloxypyran-4-one.

Molecular Properties

Compound Name3-pyrrolidin-3-yloxypyran-4-one
PubChem CID84657773
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-pyrrolidin-3-yloxypyran-4-one
SMILESO=c1ccocc1OC1CCNC1
InChIInChI=1S/C9H11NO3/c11-8-2-4-12-6-9(8)13-7-1-3-10-5-7/h2,4,6-7,10H,1,3,5H2
InChIKeyGQNCBEAPFGIGSP-UHFFFAOYSA-N
XLogP0.38
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrolidin-3-yloxy-1H-pyridin-4-one
CID 84657331
1-Methyl-3-pyrrolidin-3-yloxypyridin-4-one
CID 84665470
2-Methyl-3-pyrrolidin-3-yloxypyran-4-one
CID 84666009
3-(Pyrrolidin-2-ylmethoxy)pyran-4-one
CID 84666011
3-(Pyrrolidin-3-ylmethoxy)pyran-4-one
CID 84666012

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yloxypyran-4-one?
The IUPAC name of 3-pyrrolidin-3-yloxypyran-4-one (CID 84657773) is 3-pyrrolidin-3-yloxypyran-4-one.
What is the SMILES notation for 3-pyrrolidin-3-yloxypyran-4-one?
The canonical SMILES for 3-pyrrolidin-3-yloxypyran-4-one is O=c1ccocc1OC1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-yloxypyran-4-one?
The InChIKey is GQNCBEAPFGIGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8-2-4-12-6-9(8)13-7-1-3-10-5-7/h2,4,6-7,10H,1,3,5H2.
What are the key properties of 3-pyrrolidin-3-yloxypyran-4-one?
3-pyrrolidin-3-yloxypyran-4-one has a molecular weight of 181.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yloxypyran-4-one is sourced from PubChem (CID 84657773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).