7,7a-dihydroinden-4-one

C9H8O — CID 142717296

IUPAC7,7a-dihydroinden-4-one
SMILESO=C1C=CCC2C=CC=C12
InChIInChI=1S/C9H8O/c10-9-6-2-4-7-3-1-5-8(7)9/h1-3,5-7H,4H2
InChIKeyGMVJZZUFNGFZDM-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.63
Rot. Bonds

About 7,7a-dihydroinden-4-one

7,7a-dihydroinden-4-one (PubChem CID 142717296) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is 7,7a-dihydroinden-4-one.

Molecular Properties

Compound Name7,7a-dihydroinden-4-one
PubChem CID142717296
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name7,7a-dihydroinden-4-one
SMILESO=C1C=CCC2C=CC=C12
InChIInChI=1S/C9H8O/c10-9-6-2-4-7-3-1-5-8(7)9/h1-3,5-7H,4H2
InChIKeyGMVJZZUFNGFZDM-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydroinden-4-one?
The IUPAC name of 7,7a-dihydroinden-4-one (CID 142717296) is 7,7a-dihydroinden-4-one.
What is the SMILES notation for 7,7a-dihydroinden-4-one?
The canonical SMILES for 7,7a-dihydroinden-4-one is O=C1C=CCC2C=CC=C12.
What is the InChIKey of 7,7a-dihydroinden-4-one?
The InChIKey is GMVJZZUFNGFZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c10-9-6-2-4-7-3-1-5-8(7)9/h1-3,5-7H,4H2.
What are the key properties of 7,7a-dihydroinden-4-one?
7,7a-dihydroinden-4-one has a molecular weight of 132.16 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydroinden-4-one is sourced from PubChem (CID 142717296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).