5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one

C11H11BrN2O — CID 115096887

IUPAC5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
SMILESCN1c2c(Br)cccc2NC(=O)C12CC2
InChIInChI=1S/C11H11BrN2O/c1-14-9-7(12)3-2-4-8(9)13-10(15)11(14)5-6-11/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyAHPDGAGJZZLYHT-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.37
Rot. Bonds

About 5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one

5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one (PubChem CID 115096887) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
PubChem CID115096887
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
SMILESCN1c2c(Br)cccc2NC(=O)C12CC2
InChIInChI=1S/C11H11BrN2O/c1-14-9-7(12)3-2-4-8(9)13-10(15)11(14)5-6-11/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyAHPDGAGJZZLYHT-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one (CID 115096887) is 5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one is CN1c2c(Br)cccc2NC(=O)C12CC2.
What is the InChIKey of 5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
The InChIKey is AHPDGAGJZZLYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-14-9-7(12)3-2-4-8(9)13-10(15)11(14)5-6-11/h2-4H,5-6H2,1H3,(H,13,15).
What are the key properties of 5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 115096887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).