Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate

C11H10BrNO2Se — CID 174971934

IUPACSe-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate
SMILESCC(Br)c1cc2cc([Se]C(N)=O)ccc2o1
InChIInChI=1S/C11H10BrNO2Se/c1-6(12)10-5-7-4-8(16-11(13)14)2-3-9(7)15-10/h2-6H,1H3,(H2,13,14)
InChIKeyFRRTVCHZUBBWMT-UHFFFAOYSA-N
MW347.07 g/mol
LogP2.30
Rot. Bonds3

About Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate

Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate (PubChem CID 174971934) has the molecular formula C11H10BrNO2Se and a molecular weight of 347.07 g/mol. Its IUPAC name is Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate.

Molecular Properties

Compound NameSe-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate
PubChem CID174971934
Molecular FormulaC11H10BrNO2Se
Molecular Weight347.07 g/mol
Exact Mass346.91
IUPAC NameSe-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate
SMILESCC(Br)c1cc2cc([Se]C(N)=O)ccc2o1
InChIInChI=1S/C11H10BrNO2Se/c1-6(12)10-5-7-4-8(16-11(13)14)2-3-9(7)15-10/h2-6H,1H3,(H2,13,14)
InChIKeyFRRTVCHZUBBWMT-UHFFFAOYSA-N
XLogP2.30
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.07
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate 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 Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate?
The IUPAC name of Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate (CID 174971934) is Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate.
What is the SMILES notation for Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate?
The canonical SMILES for Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate is CC(Br)c1cc2cc([Se]C(N)=O)ccc2o1.
What is the InChIKey of Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate?
The InChIKey is FRRTVCHZUBBWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2Se/c1-6(12)10-5-7-4-8(16-11(13)14)2-3-9(7)15-10/h2-6H,1H3,(H2,13,14).
What are the key properties of Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate?
Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate has a molecular weight of 347.07 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate is sourced from PubChem (CID 174971934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).