1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one

C10H17NO2 — CID 130698408

IUPAC1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one
SMILESCC1(C)COCC1N1CCC(=O)C1
InChIInChI=1S/C10H17NO2/c1-10(2)7-13-6-9(10)11-4-3-8(12)5-11/h9H,3-7H2,1-2H3
InChIKeyQZVYKBYYOUTMAC-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.69
Rot. Bonds1

About 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one

1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one (PubChem CID 130698408) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one
PubChem CID130698408
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one
SMILESCC1(C)COCC1N1CCC(=O)C1
InChIInChI=1S/C10H17NO2/c1-10(2)7-13-6-9(10)11-4-3-8(12)5-11/h9H,3-7H2,1-2H3
InChIKeyQZVYKBYYOUTMAC-UHFFFAOYSA-N
XLogP0.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one?
The IUPAC name of 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one (CID 130698408) is 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one.
What is the SMILES notation for 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one?
The canonical SMILES for 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one is CC1(C)COCC1N1CCC(=O)C1.
What is the InChIKey of 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one?
The InChIKey is QZVYKBYYOUTMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2)7-13-6-9(10)11-4-3-8(12)5-11/h9H,3-7H2,1-2H3.
What are the key properties of 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one?
1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyloxolan-3-yl)pyrrolidin-3-one is sourced from PubChem (CID 130698408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).