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

C9H15NO2 — CID 45082715

IUPAC4-methyl-3-pyrrolidin-1-yloxolan-2-one
SMILESCC1COC(=O)C1N1CCCC1
InChIInChI=1S/C9H15NO2/c1-7-6-12-9(11)8(7)10-4-2-3-5-10/h7-8H,2-6H2,1H3
InChIKeyLVTVUZUXFXAKLQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.64
Rot. Bonds1

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

4-methyl-3-pyrrolidin-1-yloxolan-2-one (PubChem CID 45082715) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-methyl-3-pyrrolidin-1-yloxolan-2-one.

Molecular Properties

Compound Name4-methyl-3-pyrrolidin-1-yloxolan-2-one
PubChem CID45082715
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-methyl-3-pyrrolidin-1-yloxolan-2-one
SMILESCC1COC(=O)C1N1CCCC1
InChIInChI=1S/C9H15NO2/c1-7-6-12-9(11)8(7)10-4-2-3-5-10/h7-8H,2-6H2,1H3
InChIKeyLVTVUZUXFXAKLQ-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

Analyze 4-methyl-3-pyrrolidin-1-yloxolan-2-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-(1-Pyrrolidinyl)tetrahydro-2-furanone
CID 17869808
3-(3-Fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one
CID 126991920
3-[2-(Fluoromethyl)pyrrolidin-1-yl]oxolan-2-one
CID 126997500
3-(3,3-Difluoropyrrolidin-1-yl)oxolan-2-one
CID 126997838
2(3H)-Furanone, 3-(dimethylamino)dihydro-4,4-dimethyl-
CID 12139861
Ethyl 2-pyrrolidin-1-ylbutanoate
CID 9899030
2(3H)-Furanone, dihydro-4-(1-pyrrolidinyl)-
CID 10888135
3-Methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
CID 23342863
3,5-Dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
CID 23342875
3-(2-Propan-2-ylmorpholin-4-yl)oxolan-2-one
CID 58469016
3-Pyrrolidin-1-yloxolane-2,5-dione
CID 88826937
3-[Bis(3-methylbutyl)amino]oxolane-2,5-dione
CID 88827191

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolidin-1-yloxolan-2-one?
The IUPAC name of 4-methyl-3-pyrrolidin-1-yloxolan-2-one (CID 45082715) is 4-methyl-3-pyrrolidin-1-yloxolan-2-one.
What is the SMILES notation for 4-methyl-3-pyrrolidin-1-yloxolan-2-one?
The canonical SMILES for 4-methyl-3-pyrrolidin-1-yloxolan-2-one is CC1COC(=O)C1N1CCCC1.
What is the InChIKey of 4-methyl-3-pyrrolidin-1-yloxolan-2-one?
The InChIKey is LVTVUZUXFXAKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-6-12-9(11)8(7)10-4-2-3-5-10/h7-8H,2-6H2,1H3.
What are the key properties of 4-methyl-3-pyrrolidin-1-yloxolan-2-one?
4-methyl-3-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 4-methyl-3-pyrrolidin-1-yloxolan-2-one is sourced from PubChem (CID 45082715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).