[2-(4-bromophenyl)aziridin-1-yl]silane

C8H10BrNSi — CID 123457799

IUPAC[2-(4-bromophenyl)aziridin-1-yl]silane
SMILES[SiH3]N1CC1c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNSi/c9-7-3-1-6(2-4-7)8-5-10(8)11/h1-4,8H,5H2,11H3
InChIKeyVQGAVLYLFABUTM-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.09
Rot. Bonds1

About [2-(4-bromophenyl)aziridin-1-yl]silane

[2-(4-bromophenyl)aziridin-1-yl]silane (PubChem CID 123457799) has the molecular formula C8H10BrNSi and a molecular weight of 228.17 g/mol. Its IUPAC name is [2-(4-bromophenyl)aziridin-1-yl]silane.

Molecular Properties

Compound Name[2-(4-bromophenyl)aziridin-1-yl]silane
PubChem CID123457799
Molecular FormulaC8H10BrNSi
Molecular Weight228.17 g/mol
Exact Mass226.98
IUPAC Name[2-(4-bromophenyl)aziridin-1-yl]silane
SMILES[SiH3]N1CC1c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNSi/c9-7-3-1-6(2-4-7)8-5-10(8)11/h1-4,8H,5H2,11H3
InChIKeyVQGAVLYLFABUTM-UHFFFAOYSA-N
XLogP1.09
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)pyrrolidin-1-amine
CID 83542523
4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one
CID 175252301
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 7360494
4-(4-bromophenyl)-1-phenylazetidin-2-one
CID 22142286
(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine
CID 69346862
4-(4-bromophenyl)-1-methyl-4,5-dihydrotriazole
CID 155187775
2-(4-bromophenyl)cyclopropan-1-amine
CID 21190524
1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981441
azane;1,4-dibromobenzene
CID 175259215
(2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine
CID 14738791
2-(4-bromophenyl)-1-ethylpiperazine
CID 82305436

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)aziridin-1-yl]silane?
The IUPAC name of [2-(4-bromophenyl)aziridin-1-yl]silane (CID 123457799) is [2-(4-bromophenyl)aziridin-1-yl]silane.
What is the SMILES notation for [2-(4-bromophenyl)aziridin-1-yl]silane?
The canonical SMILES for [2-(4-bromophenyl)aziridin-1-yl]silane is [SiH3]N1CC1c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)aziridin-1-yl]silane?
The InChIKey is VQGAVLYLFABUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNSi/c9-7-3-1-6(2-4-7)8-5-10(8)11/h1-4,8H,5H2,11H3.
What are the key properties of [2-(4-bromophenyl)aziridin-1-yl]silane?
[2-(4-bromophenyl)aziridin-1-yl]silane has a molecular weight of 228.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)aziridin-1-yl]silane is sourced from PubChem (CID 123457799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).