bicyclo[4.2.0]oct-4-ene-2,7-dione

C8H8O2 — CID 130037819

IUPACbicyclo[4.2.0]oct-4-ene-2,7-dione
SMILESO=C1CC2C(=O)CC=CC12
InChIInChI=1S/C8H8O2/c9-7-3-1-2-5-6(7)4-8(5)10/h1-2,5-6H,3-4H2
InChIKeyJYDOIWCELOGUCW-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.72
Rot. Bonds

About bicyclo[4.2.0]oct-4-ene-2,7-dione

bicyclo[4.2.0]oct-4-ene-2,7-dione (PubChem CID 130037819) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is bicyclo[4.2.0]oct-4-ene-2,7-dione.

Molecular Properties

Compound Namebicyclo[4.2.0]oct-4-ene-2,7-dione
PubChem CID130037819
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Namebicyclo[4.2.0]oct-4-ene-2,7-dione
SMILESO=C1CC2C(=O)CC=CC12
InChIInChI=1S/C8H8O2/c9-7-3-1-2-5-6(7)4-8(5)10/h1-2,5-6H,3-4H2
InChIKeyJYDOIWCELOGUCW-UHFFFAOYSA-N
XLogP0.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one
CID 10986171
6-methylidene-2,4a,5,7,8,8a-hexahydronaphthalen-1-one
CID 123297346
2-prop-1-en-2-ylcyclopent-3-en-1-one
CID 143471642
2,3,4,4a,6,8a-hexahydrochromen-5-one
CID 90111544
bicyclo[2.2.0]hex-5-en-2-one
CID 139618189
tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one
CID 130037715
7-oxabicyclo[4.1.0]hept-4-en-2-one
CID 88598101
5-amino-6-methylcyclohex-3-en-1-one
CID 175829218
5-hydroxycyclohex-3-en-1-one
CID 54115157
tricyclo[5.2.1.02,6]deca-1,4-diene
CID 91243225
6-ethyl-5-methylcyclohex-3-en-1-one
CID 163600534
2-(2,2-dimethylpropanoyl)cyclopent-3-en-1-one
CID 91430127

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]oct-4-ene-2,7-dione?
The IUPAC name of bicyclo[4.2.0]oct-4-ene-2,7-dione (CID 130037819) is bicyclo[4.2.0]oct-4-ene-2,7-dione.
What is the SMILES notation for bicyclo[4.2.0]oct-4-ene-2,7-dione?
The canonical SMILES for bicyclo[4.2.0]oct-4-ene-2,7-dione is O=C1CC2C(=O)CC=CC12.
What is the InChIKey of bicyclo[4.2.0]oct-4-ene-2,7-dione?
The InChIKey is JYDOIWCELOGUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-7-3-1-2-5-6(7)4-8(5)10/h1-2,5-6H,3-4H2.
What are the key properties of bicyclo[4.2.0]oct-4-ene-2,7-dione?
bicyclo[4.2.0]oct-4-ene-2,7-dione has a molecular weight of 136.15 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]oct-4-ene-2,7-dione is sourced from PubChem (CID 130037819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).