7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one

C11H11BrN2O — CID 117006288

IUPAC7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
SMILESC=CCN1C(=O)CNc2ccc(Br)cc21
InChIInChI=1S/C11H11BrN2O/c1-2-5-14-10-6-8(12)3-4-9(10)13-7-11(14)15/h2-4,6,13H,1,5,7H2
InChIKeyWQXKRNNLDSPTQY-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.39
Rot. Bonds2

About 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one

7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one (PubChem CID 117006288) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
PubChem CID117006288
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
SMILESC=CCN1C(=O)CNc2ccc(Br)cc21
InChIInChI=1S/C11H11BrN2O/c1-2-5-14-10-6-8(12)3-4-9(10)13-7-11(14)15/h2-4,6,13H,1,5,7H2
InChIKeyWQXKRNNLDSPTQY-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-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 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one (CID 117006288) is 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one is C=CCN1C(=O)CNc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is WQXKRNNLDSPTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-5-14-10-6-8(12)3-4-9(10)13-7-11(14)15/h2-4,6,13H,1,5,7H2.
What are the key properties of 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 117006288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).