7'-bromospiro[cyclobutane-1,1'-indene]

C12H11Br — CID 170000889

IUPAC7'-bromospiro[cyclobutane-1,1'-indene]
SMILESBrc1cccc2c1C1(C=C2)CCC1
InChIInChI=1S/C12H11Br/c13-10-4-1-3-9-5-8-12(11(9)10)6-2-7-12/h1,3-5,8H,2,6-7H2
InChIKeyCNFOLRNWKWSERT-UHFFFAOYSA-N
MW235.12 g/mol
LogP3.90
Rot. Bonds

About 7'-bromospiro[cyclobutane-1,1'-indene]

7'-bromospiro[cyclobutane-1,1'-indene] (PubChem CID 170000889) has the molecular formula C12H11Br and a molecular weight of 235.12 g/mol. Its IUPAC name is 7'-bromospiro[cyclobutane-1,1'-indene].

Molecular Properties

Compound Name7'-bromospiro[cyclobutane-1,1'-indene]
PubChem CID170000889
Molecular FormulaC12H11Br
Molecular Weight235.12 g/mol
Exact Mass234.00
IUPAC Name7'-bromospiro[cyclobutane-1,1'-indene]
SMILESBrc1cccc2c1C1(C=C2)CCC1
InChIInChI=1S/C12H11Br/c13-10-4-1-3-9-5-8-12(11(9)10)6-2-7-12/h1,3-5,8H,2,6-7H2
InChIKeyCNFOLRNWKWSERT-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7'-bromospiro[cyclobutane-1,1'-indene]?
The IUPAC name of 7'-bromospiro[cyclobutane-1,1'-indene] (CID 170000889) is 7'-bromospiro[cyclobutane-1,1'-indene].
What is the SMILES notation for 7'-bromospiro[cyclobutane-1,1'-indene]?
The canonical SMILES for 7'-bromospiro[cyclobutane-1,1'-indene] is Brc1cccc2c1C1(C=C2)CCC1.
What is the InChIKey of 7'-bromospiro[cyclobutane-1,1'-indene]?
The InChIKey is CNFOLRNWKWSERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br/c13-10-4-1-3-9-5-8-12(11(9)10)6-2-7-12/h1,3-5,8H,2,6-7H2.
What are the key properties of 7'-bromospiro[cyclobutane-1,1'-indene]?
7'-bromospiro[cyclobutane-1,1'-indene] has a molecular weight of 235.12 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 7'-bromospiro[cyclobutane-1,1'-indene] is sourced from PubChem (CID 170000889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).