6-methyl-4-pyrrolidin-3-yloxypyran-2-one

C10H13NO3 — CID 72716697

IUPAC6-methyl-4-pyrrolidin-3-yloxypyran-2-one
SMILESCc1cc(OC2CCNC2)cc(=O)o1
InChIInChI=1S/C10H13NO3/c1-7-4-9(5-10(12)13-7)14-8-2-3-11-6-8/h4-5,8,11H,2-3,6H2,1H3
InChIKeyXAFJHSWQWUXNRB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.69
Rot. Bonds2

About 6-methyl-4-pyrrolidin-3-yloxypyran-2-one

6-methyl-4-pyrrolidin-3-yloxypyran-2-one (PubChem CID 72716697) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-methyl-4-pyrrolidin-3-yloxypyran-2-one.

Molecular Properties

Compound Name6-methyl-4-pyrrolidin-3-yloxypyran-2-one
PubChem CID72716697
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name6-methyl-4-pyrrolidin-3-yloxypyran-2-one
SMILESCc1cc(OC2CCNC2)cc(=O)o1
InChIInChI=1S/C10H13NO3/c1-7-4-9(5-10(12)13-7)14-8-2-3-11-6-8/h4-5,8,11H,2-3,6H2,1H3
InChIKeyXAFJHSWQWUXNRB-UHFFFAOYSA-N
XLogP0.69
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pyrrolidin-3-yloxypyran-2-one?
The IUPAC name of 6-methyl-4-pyrrolidin-3-yloxypyran-2-one (CID 72716697) is 6-methyl-4-pyrrolidin-3-yloxypyran-2-one.
What is the SMILES notation for 6-methyl-4-pyrrolidin-3-yloxypyran-2-one?
The canonical SMILES for 6-methyl-4-pyrrolidin-3-yloxypyran-2-one is Cc1cc(OC2CCNC2)cc(=O)o1.
What is the InChIKey of 6-methyl-4-pyrrolidin-3-yloxypyran-2-one?
The InChIKey is XAFJHSWQWUXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-4-9(5-10(12)13-7)14-8-2-3-11-6-8/h4-5,8,11H,2-3,6H2,1H3.
What are the key properties of 6-methyl-4-pyrrolidin-3-yloxypyran-2-one?
6-methyl-4-pyrrolidin-3-yloxypyran-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pyrrolidin-3-yloxypyran-2-one is sourced from PubChem (CID 72716697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).