3-(pyrrolidin-3-ylmethoxy)pyran-4-one

C10H13NO3 — CID 84666012

IUPAC3-(pyrrolidin-3-ylmethoxy)pyran-4-one
SMILESO=c1ccocc1OCC1CCNC1
InChIInChI=1S/C10H13NO3/c12-9-2-4-13-7-10(9)14-6-8-1-3-11-5-8/h2,4,7-8,11H,1,3,5-6H2
InChIKeyOTVLKGYEAHTVET-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.63
Rot. Bonds3

About 3-(pyrrolidin-3-ylmethoxy)pyran-4-one

3-(pyrrolidin-3-ylmethoxy)pyran-4-one (PubChem CID 84666012) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethoxy)pyran-4-one.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethoxy)pyran-4-one
PubChem CID84666012
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(pyrrolidin-3-ylmethoxy)pyran-4-one
SMILESO=c1ccocc1OCC1CCNC1
InChIInChI=1S/C10H13NO3/c12-9-2-4-13-7-10(9)14-6-8-1-3-11-5-8/h2,4,7-8,11H,1,3,5-6H2
InChIKeyOTVLKGYEAHTVET-UHFFFAOYSA-N
XLogP0.63
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(pyrrolidin-3-ylmethoxy)pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Pyrrolidin-3-yloxypyran-4-one
CID 84657773
3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one
CID 84665474
1-Methyl-3-(pyrrolidin-3-ylmethoxy)pyridin-4-one
CID 84676157
2-Methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one
CID 84676764
3-(Piperidin-4-ylmethoxy)pyran-4-one
CID 84676767

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethoxy)pyran-4-one?
The IUPAC name of 3-(pyrrolidin-3-ylmethoxy)pyran-4-one (CID 84666012) is 3-(pyrrolidin-3-ylmethoxy)pyran-4-one.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethoxy)pyran-4-one?
The canonical SMILES for 3-(pyrrolidin-3-ylmethoxy)pyran-4-one is O=c1ccocc1OCC1CCNC1.
What is the InChIKey of 3-(pyrrolidin-3-ylmethoxy)pyran-4-one?
The InChIKey is OTVLKGYEAHTVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9-2-4-13-7-10(9)14-6-8-1-3-11-5-8/h2,4,7-8,11H,1,3,5-6H2.
What are the key properties of 3-(pyrrolidin-3-ylmethoxy)pyran-4-one?
3-(pyrrolidin-3-ylmethoxy)pyran-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethoxy)pyran-4-one is sourced from PubChem (CID 84666012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).