6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one

C10H9BrO2 — CID 24752657

IUPAC6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
SMILESO=C1C(Br)=CC2=C(CCC2)C12CO2
InChIInChI=1S/C10H9BrO2/c11-8-4-6-2-1-3-7(6)10(5-13-10)9(8)12/h4H,1-3,5H2
InChIKeyAFVMJKYXHSOCEJ-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.10
Rot. Bonds

About 6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one

6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one (PubChem CID 24752657) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one.

Molecular Properties

Compound Name6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
PubChem CID24752657
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
SMILESO=C1C(Br)=CC2=C(CCC2)C12CO2
InChIInChI=1S/C10H9BrO2/c11-8-4-6-2-1-3-7(6)10(5-13-10)9(8)12/h4H,1-3,5H2
InChIKeyAFVMJKYXHSOCEJ-UHFFFAOYSA-N
XLogP2.10
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one
CID 11084410
spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752228
6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752658

Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The IUPAC name of 6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one (CID 24752657) is 6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one.
What is the SMILES notation for 6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The canonical SMILES for 6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one is O=C1C(Br)=CC2=C(CCC2)C12CO2.
What is the InChIKey of 6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The InChIKey is AFVMJKYXHSOCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c11-8-4-6-2-1-3-7(6)10(5-13-10)9(8)12/h4H,1-3,5H2.
What are the key properties of 6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one has a molecular weight of 241.08 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one is sourced from PubChem (CID 24752657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).