5-cyclopropyl-3-methyloxolan-2-one

C8H12O2 — CID 154096657

IUPAC5-cyclopropyl-3-methyloxolan-2-one
SMILESCC1CC(C2CC2)OC1=O
InChIInChI=1S/C8H12O2/c1-5-4-7(6-2-3-6)10-8(5)9/h5-7H,2-4H2,1H3
InChIKeyDKKLUZIJOKFXHE-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.35
Rot. Bonds1

About 5-cyclopropyl-3-methyloxolan-2-one

5-cyclopropyl-3-methyloxolan-2-one (PubChem CID 154096657) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-cyclopropyl-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3-methyloxolan-2-one
PubChem CID154096657
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-cyclopropyl-3-methyloxolan-2-one
SMILESCC1CC(C2CC2)OC1=O
InChIInChI=1S/C8H12O2/c1-5-4-7(6-2-3-6)10-8(5)9/h5-7H,2-4H2,1H3
InChIKeyDKKLUZIJOKFXHE-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropyl-3-methyloxolan-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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-methyloxolan-2-one?
The IUPAC name of 5-cyclopropyl-3-methyloxolan-2-one (CID 154096657) is 5-cyclopropyl-3-methyloxolan-2-one.
What is the SMILES notation for 5-cyclopropyl-3-methyloxolan-2-one?
The canonical SMILES for 5-cyclopropyl-3-methyloxolan-2-one is CC1CC(C2CC2)OC1=O.
What is the InChIKey of 5-cyclopropyl-3-methyloxolan-2-one?
The InChIKey is DKKLUZIJOKFXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-4-7(6-2-3-6)10-8(5)9/h5-7H,2-4H2,1H3.
What are the key properties of 5-cyclopropyl-3-methyloxolan-2-one?
5-cyclopropyl-3-methyloxolan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methyloxolan-2-one is sourced from PubChem (CID 154096657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).