cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one

C10H14O3 — CID 88508722

IUPACcyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1CCC2OC12.O=C1CCCC1
InChIInChI=1S/C5H6O2.C5H8O/c6-3-1-2-4-5(3)7-4;6-5-3-1-2-4-5/h4-5H,1-2H2;1-4H2
InChIKeyIRYWDZRMLPPUHJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.25
Rot. Bonds

About cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one

cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 88508722) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Namecyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one
PubChem CID88508722
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namecyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1CCC2OC12.O=C1CCCC1
InChIInChI=1S/C5H6O2.C5H8O/c6-3-1-2-4-5(3)7-4;6-5-3-1-2-4-5/h4-5H,1-2H2;1-4H2
InChIKeyIRYWDZRMLPPUHJ-UHFFFAOYSA-N
XLogP1.25
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one (CID 88508722) is cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one is O=C1CCC2OC12.O=C1CCCC1.
What is the InChIKey of cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is IRYWDZRMLPPUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.C5H8O/c6-3-1-2-4-5(3)7-4;6-5-3-1-2-4-5/h4-5H,1-2H2;1-4H2.
What are the key properties of cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one?
cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;6-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 88508722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).