2,3-dihydroinden-1-one

C9H8O — CID 6735

IUPAC2,3-dihydroinden-1-one
SMILESO=C1CCc2ccccc21
InChIInChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKeyQNXSIUBBGPHDDE-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.82
Rot. Bonds

About 2,3-dihydroinden-1-one

2,3-dihydroinden-1-one (PubChem CID 6735) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is 2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2,3-dihydroinden-1-one
PubChem CID6735
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name2,3-dihydroinden-1-one
SMILESO=C1CCc2ccccc21
InChIInChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKeyQNXSIUBBGPHDDE-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Naphthoquinone
CID 8530
Benzophenone
CID 3102
Menadione
CID 4055
Acetophenone
CID 7410
1,2-Naphthoquinone
CID 10667
Phenindione
CID 4760
Pindone
CID 6732
1-Phenyl-1-propanone
CID 7148
Chalcone
CID 637760
Celestolide
CID 61585
2-Methylbenzaldehyde
CID 10722
Fluorenone
CID 10241

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroinden-1-one?
The IUPAC name of 2,3-dihydroinden-1-one (CID 6735) is 2,3-dihydroinden-1-one.
What is the SMILES notation for 2,3-dihydroinden-1-one?
The canonical SMILES for 2,3-dihydroinden-1-one is O=C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroinden-1-one?
The InChIKey is QNXSIUBBGPHDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2.
What are the key properties of 2,3-dihydroinden-1-one?
2,3-dihydroinden-1-one has a molecular weight of 132.16 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroinden-1-one is sourced from PubChem (CID 6735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).