2-bromospiro[cyclopentane-1,1'-indene]

C13H13Br — CID 175498392

IUPAC2-bromospiro[cyclopentane-1,1'-indene]
SMILESBrC1CCCC12C=Cc1ccccc12
InChIInChI=1S/C13H13Br/c14-12-6-3-8-13(12)9-7-10-4-1-2-5-11(10)13/h1-2,4-5,7,9,12H,3,6,8H2
InChIKeyUOKOJEJLDORZLA-UHFFFAOYSA-N
MW249.15 g/mol
LogP3.90
Rot. Bonds

About 2-bromospiro[cyclopentane-1,1'-indene]

2-bromospiro[cyclopentane-1,1'-indene] (PubChem CID 175498392) has the molecular formula C13H13Br and a molecular weight of 249.15 g/mol. Its IUPAC name is 2-bromospiro[cyclopentane-1,1'-indene].

Molecular Properties

Compound Name2-bromospiro[cyclopentane-1,1'-indene]
PubChem CID175498392
Molecular FormulaC13H13Br
Molecular Weight249.15 g/mol
Exact Mass248.02
IUPAC Name2-bromospiro[cyclopentane-1,1'-indene]
SMILESBrC1CCCC12C=Cc1ccccc12
InChIInChI=1S/C13H13Br/c14-12-6-3-8-13(12)9-7-10-4-1-2-5-11(10)13/h1-2,4-5,7,9,12H,3,6,8H2
InChIKeyUOKOJEJLDORZLA-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 53.90
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 2-bromospiro[cyclopentane-1,1'-indene]?
The IUPAC name of 2-bromospiro[cyclopentane-1,1'-indene] (CID 175498392) is 2-bromospiro[cyclopentane-1,1'-indene].
What is the SMILES notation for 2-bromospiro[cyclopentane-1,1'-indene]?
The canonical SMILES for 2-bromospiro[cyclopentane-1,1'-indene] is BrC1CCCC12C=Cc1ccccc12.
What is the InChIKey of 2-bromospiro[cyclopentane-1,1'-indene]?
The InChIKey is UOKOJEJLDORZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br/c14-12-6-3-8-13(12)9-7-10-4-1-2-5-11(10)13/h1-2,4-5,7,9,12H,3,6,8H2.
What are the key properties of 2-bromospiro[cyclopentane-1,1'-indene]?
2-bromospiro[cyclopentane-1,1'-indene] has a molecular weight of 249.15 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromospiro[cyclopentane-1,1'-indene] is sourced from PubChem (CID 175498392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).