1-bromo-2,3-dihydro-1H-indene

C9H9Br — CID 10965462

IUPAC1-bromo-2,3-dihydro-1H-indene
SMILESBrC1CCc2ccccc21
InChIInChI=1S/C9H9Br/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2
InChIKeyBVMGTUJYIOYCBX-UHFFFAOYSA-N
MW197.08 g/mol
LogP3.07
Rot. Bonds

About 1-bromo-2,3-dihydro-1H-indene

1-bromo-2,3-dihydro-1H-indene (PubChem CID 10965462) has the molecular formula C9H9Br and a molecular weight of 197.08 g/mol. Its IUPAC name is 1-bromo-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-2,3-dihydro-1H-indene
PubChem CID10965462
Molecular FormulaC9H9Br
Molecular Weight197.08 g/mol
Exact Mass195.99
IUPAC Name1-bromo-2,3-dihydro-1H-indene
SMILESBrC1CCc2ccccc21
InChIInChI=1S/C9H9Br/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2
InChIKeyBVMGTUJYIOYCBX-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.08
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-2,3-dihydro-1H-indene (CID 10965462) is 1-bromo-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-2,3-dihydro-1H-indene is BrC1CCc2ccccc21.
What is the InChIKey of 1-bromo-2,3-dihydro-1H-indene?
The InChIKey is BVMGTUJYIOYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2.
What are the key properties of 1-bromo-2,3-dihydro-1H-indene?
1-bromo-2,3-dihydro-1H-indene has a molecular weight of 197.08 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-dihydro-1H-indene is sourced from PubChem (CID 10965462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).