5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one

C13H13BrO — CID 177355037

IUPAC5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one
SMILESCCc1cc2c(cc1Br)C1(CC1)C(=O)C2
InChIInChI=1S/C13H13BrO/c1-2-8-5-9-6-12(15)13(3-4-13)10(9)7-11(8)14/h5,7H,2-4,6H2,1H3
InChIKeySVGVWUPGVLJXRL-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.17
Rot. Bonds1

About 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one

5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one (PubChem CID 177355037) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one
PubChem CID177355037
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one
SMILESCCc1cc2c(cc1Br)C1(CC1)C(=O)C2
InChIInChI=1S/C13H13BrO/c1-2-8-5-9-6-12(15)13(3-4-13)10(9)7-11(8)14/h5,7H,2-4,6H2,1H3
InChIKeySVGVWUPGVLJXRL-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one (CID 177355037) is 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one is CCc1cc2c(cc1Br)C1(CC1)C(=O)C2.
What is the InChIKey of 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one?
The InChIKey is SVGVWUPGVLJXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO/c1-2-8-5-9-6-12(15)13(3-4-13)10(9)7-11(8)14/h5,7H,2-4,6H2,1H3.
What are the key properties of 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one?
5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one has a molecular weight of 265.15 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 177355037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).