bicyclo[3.2.0]heptane-2,4-dione

C7H8O2 — CID 59558535

IUPACbicyclo[3.2.0]heptane-2,4-dione
SMILESO=C1CC(=O)C2CCC12
InChIInChI=1S/C7H8O2/c8-6-3-7(9)5-2-1-4(5)6/h4-5H,1-3H2
InChIKeyRUSUJAKXQJRXRZ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.55
Rot. Bonds

About bicyclo[3.2.0]heptane-2,4-dione

bicyclo[3.2.0]heptane-2,4-dione (PubChem CID 59558535) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is bicyclo[3.2.0]heptane-2,4-dione.

Molecular Properties

Compound Namebicyclo[3.2.0]heptane-2,4-dione
PubChem CID59558535
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Namebicyclo[3.2.0]heptane-2,4-dione
SMILESO=C1CC(=O)C2CCC12
InChIInChI=1S/C7H8O2/c8-6-3-7(9)5-2-1-4(5)6/h4-5H,1-3H2
InChIKeyRUSUJAKXQJRXRZ-UHFFFAOYSA-N
XLogP0.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.0]heptane-2,4-dione?
The IUPAC name of bicyclo[3.2.0]heptane-2,4-dione (CID 59558535) is bicyclo[3.2.0]heptane-2,4-dione.
What is the SMILES notation for bicyclo[3.2.0]heptane-2,4-dione?
The canonical SMILES for bicyclo[3.2.0]heptane-2,4-dione is O=C1CC(=O)C2CCC12.
What is the InChIKey of bicyclo[3.2.0]heptane-2,4-dione?
The InChIKey is RUSUJAKXQJRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-6-3-7(9)5-2-1-4(5)6/h4-5H,1-3H2.
What are the key properties of bicyclo[3.2.0]heptane-2,4-dione?
bicyclo[3.2.0]heptane-2,4-dione has a molecular weight of 124.14 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.0]heptane-2,4-dione is sourced from PubChem (CID 59558535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).