3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one

C10H15NO3 — CID 23342875

IUPAC3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
SMILESCC1CC(C)N(C2CCOC2=O)C1=O
InChIInChI=1S/C10H15NO3/c1-6-5-7(2)11(9(6)12)8-3-4-14-10(8)13/h6-8H,3-5H2,1-2H3
InChIKeyGCFJNFBTOMEQBC-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.56
Rot. Bonds1

About 3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one

3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one (PubChem CID 23342875) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
PubChem CID23342875
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
SMILESCC1CC(C)N(C2CCOC2=O)C1=O
InChIInChI=1S/C10H15NO3/c1-6-5-7(2)11(9(6)12)8-3-4-14-10(8)13/h6-8H,3-5H2,1-2H3
InChIKeyGCFJNFBTOMEQBC-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
The IUPAC name of 3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one (CID 23342875) is 3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one is CC1CC(C)N(C2CCOC2=O)C1=O.
What is the InChIKey of 3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
The InChIKey is GCFJNFBTOMEQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6-5-7(2)11(9(6)12)8-3-4-14-10(8)13/h6-8H,3-5H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 23342875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).