bicyclo[3.2.0]heptane-3,6-dione

C7H8O2 — CID 141109024

IUPACbicyclo[3.2.0]heptane-3,6-dione
SMILESO=C1CC2CC(=O)C2C1
InChIInChI=1S/C7H8O2/c8-5-1-4-2-7(9)6(4)3-5/h4,6H,1-3H2
InChIKeyQCRBVSULBFNXKB-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.55
Rot. Bonds

About bicyclo[3.2.0]heptane-3,6-dione

bicyclo[3.2.0]heptane-3,6-dione (PubChem CID 141109024) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is bicyclo[3.2.0]heptane-3,6-dione.

Molecular Properties

Compound Namebicyclo[3.2.0]heptane-3,6-dione
PubChem CID141109024
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Namebicyclo[3.2.0]heptane-3,6-dione
SMILESO=C1CC2CC(=O)C2C1
InChIInChI=1S/C7H8O2/c8-5-1-4-2-7(9)6(4)3-5/h4,6H,1-3H2
InChIKeyQCRBVSULBFNXKB-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

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Related Compounds

bicyclo[3.2.0]heptan-3-one
CID 12550422
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 139265840
(4aS,9aR)-2,3,4a,5,7,8,9,9a-octahydro-1H-benzo[7]annulene-4,6-dione
CID 138606681
(1R,13R)-bicyclo[11.2.0]pentadecan-14-one
CID 24895078
(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one
CID 95565105
(4aR,8aS)-2,3,4,4a,5,6,8,8a-octahydronaphthalene-1,7-dione
CID 131024388
1,3-dimethyl-4,6,6a,7-tetrahydro-3bH-pentaleno[1,2-c]thiophen-5-one
CID 118480030
(3aS,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-one
CID 11029897
(1S,4R,7R)-7-chlorobicyclo[2.2.1]heptan-2-one
CID 15262521
(3aR,6aR)-5,5-difluoro-1,3,3a,4,6,6a-hexahydropentalen-2-one
CID 125041568
tricyclo[4.2.0.02,8]octan-4-one
CID 91058293

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.0]heptane-3,6-dione?
The IUPAC name of bicyclo[3.2.0]heptane-3,6-dione (CID 141109024) is bicyclo[3.2.0]heptane-3,6-dione.
What is the SMILES notation for bicyclo[3.2.0]heptane-3,6-dione?
The canonical SMILES for bicyclo[3.2.0]heptane-3,6-dione is O=C1CC2CC(=O)C2C1.
What is the InChIKey of bicyclo[3.2.0]heptane-3,6-dione?
The InChIKey is QCRBVSULBFNXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-5-1-4-2-7(9)6(4)3-5/h4,6H,1-3H2.
What are the key properties of bicyclo[3.2.0]heptane-3,6-dione?
bicyclo[3.2.0]heptane-3,6-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-3,6-dione is sourced from PubChem (CID 141109024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).