bicyclo[4.2.0]oct-3-en-7-one

C8H10O — CID 10997022

IUPACbicyclo[4.2.0]oct-3-en-7-one
SMILESO=C1CC2CC=CCC12
InChIInChI=1S/C8H10O/c9-8-5-6-3-1-2-4-7(6)8/h1-2,6-7H,3-5H2
InChIKeyAYXQRXAAJYZWJJ-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.54
Rot. Bonds

About bicyclo[4.2.0]oct-3-en-7-one

bicyclo[4.2.0]oct-3-en-7-one (PubChem CID 10997022) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is bicyclo[4.2.0]oct-3-en-7-one.

Molecular Properties

Compound Namebicyclo[4.2.0]oct-3-en-7-one
PubChem CID10997022
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Namebicyclo[4.2.0]oct-3-en-7-one
SMILESO=C1CC2CC=CCC12
InChIInChI=1S/C8H10O/c9-8-5-6-3-1-2-4-7(6)8/h1-2,6-7H,3-5H2
InChIKeyAYXQRXAAJYZWJJ-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]oct-3-en-7-one?
The IUPAC name of bicyclo[4.2.0]oct-3-en-7-one (CID 10997022) is bicyclo[4.2.0]oct-3-en-7-one.
What is the SMILES notation for bicyclo[4.2.0]oct-3-en-7-one?
The canonical SMILES for bicyclo[4.2.0]oct-3-en-7-one is O=C1CC2CC=CCC12.
What is the InChIKey of bicyclo[4.2.0]oct-3-en-7-one?
The InChIKey is AYXQRXAAJYZWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c9-8-5-6-3-1-2-4-7(6)8/h1-2,6-7H,3-5H2.
What are the key properties of bicyclo[4.2.0]oct-3-en-7-one?
bicyclo[4.2.0]oct-3-en-7-one has a molecular weight of 122.17 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]oct-3-en-7-one is sourced from PubChem (CID 10997022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).