5,6-dimethylindene-1,3-dione

C11H10O2 — CID 15140857

IUPAC5,6-dimethylindene-1,3-dione
SMILESCc1cc2c(cc1C)C(=O)CC2=O
InChIInChI=1S/C11H10O2/c1-6-3-8-9(4-7(6)2)11(13)5-10(8)12/h3-4H,5H2,1-2H3
InChIKeyPBSZHPXRHKYMEC-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.07
Rot. Bonds

About 5,6-dimethylindene-1,3-dione

5,6-dimethylindene-1,3-dione (PubChem CID 15140857) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5,6-dimethylindene-1,3-dione.

Molecular Properties

Compound Name5,6-dimethylindene-1,3-dione
PubChem CID15140857
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name5,6-dimethylindene-1,3-dione
SMILESCc1cc2c(cc1C)C(=O)CC2=O
InChIInChI=1S/C11H10O2/c1-6-3-8-9(4-7(6)2)11(13)5-10(8)12/h3-4H,5H2,1-2H3
InChIKeyPBSZHPXRHKYMEC-UHFFFAOYSA-N
XLogP2.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylindene-1,3-dione?
The IUPAC name of 5,6-dimethylindene-1,3-dione (CID 15140857) is 5,6-dimethylindene-1,3-dione.
What is the SMILES notation for 5,6-dimethylindene-1,3-dione?
The canonical SMILES for 5,6-dimethylindene-1,3-dione is Cc1cc2c(cc1C)C(=O)CC2=O.
What is the InChIKey of 5,6-dimethylindene-1,3-dione?
The InChIKey is PBSZHPXRHKYMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-6-3-8-9(4-7(6)2)11(13)5-10(8)12/h3-4H,5H2,1-2H3.
What are the key properties of 5,6-dimethylindene-1,3-dione?
5,6-dimethylindene-1,3-dione has a molecular weight of 174.20 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylindene-1,3-dione is sourced from PubChem (CID 15140857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).