7a-methyl-5,6-dihydroindene-1,7-dione

C10H10O2 — CID 13467762

IUPAC7a-methyl-5,6-dihydroindene-1,7-dione
SMILESCC12C(=O)C=CC1=CCCC2=O
InChIInChI=1S/C10H10O2/c1-10-7(5-6-9(10)12)3-2-4-8(10)11/h3,5-6H,2,4H2,1H3
InChIKeyKLPCWZOGDNASKO-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.42
Rot. Bonds

About 7a-methyl-5,6-dihydroindene-1,7-dione

7a-methyl-5,6-dihydroindene-1,7-dione (PubChem CID 13467762) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 7a-methyl-5,6-dihydroindene-1,7-dione.

Molecular Properties

Compound Name7a-methyl-5,6-dihydroindene-1,7-dione
PubChem CID13467762
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name7a-methyl-5,6-dihydroindene-1,7-dione
SMILESCC12C(=O)C=CC1=CCCC2=O
InChIInChI=1S/C10H10O2/c1-10-7(5-6-9(10)12)3-2-4-8(10)11/h3,5-6H,2,4H2,1H3
InChIKeyKLPCWZOGDNASKO-UHFFFAOYSA-N
XLogP1.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.42
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 7a-methyl-5,6-dihydroindene-1,7-dione?
The IUPAC name of 7a-methyl-5,6-dihydroindene-1,7-dione (CID 13467762) is 7a-methyl-5,6-dihydroindene-1,7-dione.
What is the SMILES notation for 7a-methyl-5,6-dihydroindene-1,7-dione?
The canonical SMILES for 7a-methyl-5,6-dihydroindene-1,7-dione is CC12C(=O)C=CC1=CCCC2=O.
What is the InChIKey of 7a-methyl-5,6-dihydroindene-1,7-dione?
The InChIKey is KLPCWZOGDNASKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-10-7(5-6-9(10)12)3-2-4-8(10)11/h3,5-6H,2,4H2,1H3.
What are the key properties of 7a-methyl-5,6-dihydroindene-1,7-dione?
7a-methyl-5,6-dihydroindene-1,7-dione has a molecular weight of 162.19 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5,6-dihydroindene-1,7-dione is sourced from PubChem (CID 13467762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).