3-(pyrrolidin-2-ylmethoxy)pyran-4-one

C10H13NO3 — CID 84666011

IUPAC3-(pyrrolidin-2-ylmethoxy)pyran-4-one
SMILESO=c1ccocc1OCC1CCCN1
InChIInChI=1S/C10H13NO3/c12-9-3-5-13-7-10(9)14-6-8-2-1-4-11-8/h3,5,7-8,11H,1-2,4,6H2
InChIKeyQQJYHMMGKNUDOR-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.77
Rot. Bonds3

About 3-(pyrrolidin-2-ylmethoxy)pyran-4-one

3-(pyrrolidin-2-ylmethoxy)pyran-4-one (PubChem CID 84666011) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethoxy)pyran-4-one.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethoxy)pyran-4-one
PubChem CID84666011
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(pyrrolidin-2-ylmethoxy)pyran-4-one
SMILESO=c1ccocc1OCC1CCCN1
InChIInChI=1S/C10H13NO3/c12-9-3-5-13-7-10(9)14-6-8-2-1-4-11-8/h3,5,7-8,11H,1-2,4,6H2
InChIKeyQQJYHMMGKNUDOR-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethoxy)pyran-4-one?
The IUPAC name of 3-(pyrrolidin-2-ylmethoxy)pyran-4-one (CID 84666011) is 3-(pyrrolidin-2-ylmethoxy)pyran-4-one.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethoxy)pyran-4-one?
The canonical SMILES for 3-(pyrrolidin-2-ylmethoxy)pyran-4-one is O=c1ccocc1OCC1CCCN1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethoxy)pyran-4-one?
The InChIKey is QQJYHMMGKNUDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9-3-5-13-7-10(9)14-6-8-2-1-4-11-8/h3,5,7-8,11H,1-2,4,6H2.
What are the key properties of 3-(pyrrolidin-2-ylmethoxy)pyran-4-one?
3-(pyrrolidin-2-ylmethoxy)pyran-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethoxy)pyran-4-one is sourced from PubChem (CID 84666011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).