5-bromo-2,3-dihydroinden-1-one

C9H7BrO — CID 520695

IUPAC5-bromo-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(Br)ccc21
InChIInChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKeyKSONICAHAPRCMV-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.58
Rot. Bonds

About 5-bromo-2,3-dihydroinden-1-one

5-bromo-2,3-dihydroinden-1-one (PubChem CID 520695) has the molecular formula C9H7BrO and a molecular weight of 211.06 g/mol. Its IUPAC name is 5-bromo-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-bromo-2,3-dihydroinden-1-one
PubChem CID520695
Molecular FormulaC9H7BrO
Molecular Weight211.06 g/mol
Exact Mass209.97
IUPAC Name5-bromo-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(Br)ccc21
InChIInChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKeyKSONICAHAPRCMV-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydroinden-1-one?
The IUPAC name of 5-bromo-2,3-dihydroinden-1-one (CID 520695) is 5-bromo-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-bromo-2,3-dihydroinden-1-one?
The canonical SMILES for 5-bromo-2,3-dihydroinden-1-one is O=C1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2,3-dihydroinden-1-one?
The InChIKey is KSONICAHAPRCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2.
What are the key properties of 5-bromo-2,3-dihydroinden-1-one?
5-bromo-2,3-dihydroinden-1-one has a molecular weight of 211.06 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydroinden-1-one is sourced from PubChem (CID 520695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).