3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one

C11H9BrO — CID 175769647

IUPAC3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one
SMILESO=C1c2ccccc2C(Br)C12CC2
InChIInChI=1S/C11H9BrO/c12-9-7-3-1-2-4-8(7)10(13)11(9)5-6-11/h1-4,9H,5-6H2
InChIKeyOOTVVWKAUYLJDG-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.10
Rot. Bonds

About 3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one

3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one (PubChem CID 175769647) has the molecular formula C11H9BrO and a molecular weight of 237.10 g/mol. Its IUPAC name is 3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one
PubChem CID175769647
Molecular FormulaC11H9BrO
Molecular Weight237.10 g/mol
Exact Mass235.98
IUPAC Name3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one
SMILESO=C1c2ccccc2C(Br)C12CC2
InChIInChI=1S/C11H9BrO/c12-9-7-3-1-2-4-8(7)10(13)11(9)5-6-11/h1-4,9H,5-6H2
InChIKeyOOTVVWKAUYLJDG-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one?
The IUPAC name of 3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one (CID 175769647) is 3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one.
What is the SMILES notation for 3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one?
The canonical SMILES for 3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one is O=C1c2ccccc2C(Br)C12CC2.
What is the InChIKey of 3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one?
The InChIKey is OOTVVWKAUYLJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO/c12-9-7-3-1-2-4-8(7)10(13)11(9)5-6-11/h1-4,9H,5-6H2.
What are the key properties of 3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one?
3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one has a molecular weight of 237.10 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one is sourced from PubChem (CID 175769647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).