3-methyl-4-pyrrolidin-1-yloxolan-2-one

C9H15NO2 — CID 89256982

IUPAC3-methyl-4-pyrrolidin-1-yloxolan-2-one
SMILESCC1C(=O)OCC1N1CCCC1
InChIInChI=1S/C9H15NO2/c1-7-8(6-12-9(7)11)10-4-2-3-5-10/h7-8H,2-6H2,1H3
InChIKeyAHRAPJZSABKQAW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.64
Rot. Bonds1

About 3-methyl-4-pyrrolidin-1-yloxolan-2-one

3-methyl-4-pyrrolidin-1-yloxolan-2-one (PubChem CID 89256982) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-methyl-4-pyrrolidin-1-yloxolan-2-one.

Molecular Properties

Compound Name3-methyl-4-pyrrolidin-1-yloxolan-2-one
PubChem CID89256982
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-methyl-4-pyrrolidin-1-yloxolan-2-one
SMILESCC1C(=O)OCC1N1CCCC1
InChIInChI=1S/C9H15NO2/c1-7-8(6-12-9(7)11)10-4-2-3-5-10/h7-8H,2-6H2,1H3
InChIKeyAHRAPJZSABKQAW-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pyrrolidin-1-yloxolan-2-one?
The IUPAC name of 3-methyl-4-pyrrolidin-1-yloxolan-2-one (CID 89256982) is 3-methyl-4-pyrrolidin-1-yloxolan-2-one.
What is the SMILES notation for 3-methyl-4-pyrrolidin-1-yloxolan-2-one?
The canonical SMILES for 3-methyl-4-pyrrolidin-1-yloxolan-2-one is CC1C(=O)OCC1N1CCCC1.
What is the InChIKey of 3-methyl-4-pyrrolidin-1-yloxolan-2-one?
The InChIKey is AHRAPJZSABKQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-8(6-12-9(7)11)10-4-2-3-5-10/h7-8H,2-6H2,1H3.
What are the key properties of 3-methyl-4-pyrrolidin-1-yloxolan-2-one?
3-methyl-4-pyrrolidin-1-yloxolan-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pyrrolidin-1-yloxolan-2-one is sourced from PubChem (CID 89256982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).