(7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione

C10H6Br2O2 — CID 146156160

IUPAC(7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
SMILESO=C1C(Br)=CC2C1C1C=C[C@@]2(Br)C1=O
InChIInChI=1S/C10H6Br2O2/c11-6-3-5-7(8(6)13)4-1-2-10(5,12)9(4)14/h1-5,7H/t4?,5?,7?,10-/m0/s1
InChIKeyQPIIZGUQJCFMDJ-OZXMANSGSA-N
MW317.96 g/mol
LogP1.98
Rot. Bonds

About (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione

(7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione (PubChem CID 146156160) has the molecular formula C10H6Br2O2 and a molecular weight of 317.96 g/mol. Its IUPAC name is (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione.

Molecular Properties

Compound Name(7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
PubChem CID146156160
Molecular FormulaC10H6Br2O2
Molecular Weight317.96 g/mol
Exact Mass315.87
IUPAC Name(7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
SMILESO=C1C(Br)=CC2C1C1C=C[C@@]2(Br)C1=O
InChIInChI=1S/C10H6Br2O2/c11-6-3-5-7(8(6)13)4-1-2-10(5,12)9(4)14/h1-5,7H/t4?,5?,7?,10-/m0/s1
InChIKeyQPIIZGUQJCFMDJ-OZXMANSGSA-N
XLogP1.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.96
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,6R,7R)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 178188733
(1'R,2'R,6'R,7'S,8'R,11'R)-4',7'-dibromospiro[1,3-dioxolane-2,12'-tetracyclo[5.4.1.02,6.08,11]dodec-4-ene]-3'-one
CID 98482038
CID 98122419
CID 98122419
(1R,4S,5S)-4-bromo-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carbaldehyde
CID 134891923
(1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 102348577
2,2,7,7-tetramethylbicyclo[3.2.0]hept-3-en-6-one
CID 130037359
(1'R,2'R,3'R,5'R,7'S,8'S)-spiro[1,3-dioxolane-2,11'-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene]-6'-one
CID 102018789
CID 125180640
CID 125180640
(1R,2R,3R,4R,5S,7R,8R,9R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-dione
CID 98514879
2,4,6-tribromocyclohexa-2,5-dien-1-one
CID 21117410
(1S,2S,6R)-1,4-dinitrosotricyclo[4.2.0.02,5]octa-3,7-diene
CID 100931778
4-hydroxy-4-methyl-3a,6a-dihydropentalen-1-one
CID 72814704

Frequently Asked Questions

What is the IUPAC name of (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione?
The IUPAC name of (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione (CID 146156160) is (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione.
What is the SMILES notation for (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione?
The canonical SMILES for (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione is O=C1C(Br)=CC2C1C1C=C[C@@]2(Br)C1=O.
What is the InChIKey of (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione?
The InChIKey is QPIIZGUQJCFMDJ-OZXMANSGSA-N. The full InChI is InChI=1S/C10H6Br2O2/c11-6-3-5-7(8(6)13)4-1-2-10(5,12)9(4)14/h1-5,7H/t4?,5?,7?,10-/m0/s1.
What are the key properties of (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione?
(7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione has a molecular weight of 317.96 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione is sourced from PubChem (CID 146156160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).