benzyl aziridine-1-carboxylate;silane

C10H15NO2Si — CID 158496499

IUPACbenzyl aziridine-1-carboxylate;silane
SMILESO=C(OCc1ccccc1)N1CC1.[SiH4]
InChIInChI=1S/C10H11NO2.H4Si/c12-10(11-6-7-11)13-8-9-4-2-1-3-5-9;/h1-5H,6-8H2;1H4
InChIKeyHJIXEPYNKSAWLC-UHFFFAOYSA-N
MW209.32 g/mol
LogP0.19
Rot. Bonds2

About benzyl aziridine-1-carboxylate;silane

benzyl aziridine-1-carboxylate;silane (PubChem CID 158496499) has the molecular formula C10H15NO2Si and a molecular weight of 209.32 g/mol. Its IUPAC name is benzyl aziridine-1-carboxylate;silane.

Molecular Properties

Compound Namebenzyl aziridine-1-carboxylate;silane
PubChem CID158496499
Molecular FormulaC10H15NO2Si
Molecular Weight209.32 g/mol
Exact Mass209.09
IUPAC Namebenzyl aziridine-1-carboxylate;silane
SMILESO=C(OCc1ccccc1)N1CC1.[SiH4]
InChIInChI=1S/C10H11NO2.H4Si/c12-10(11-6-7-11)13-8-9-4-2-1-3-5-9;/h1-5H,6-8H2;1H4
InChIKeyHJIXEPYNKSAWLC-UHFFFAOYSA-N
XLogP0.19
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
dibenzyl 1,7-diaza-4,10-diazoniacyclododecane-1,7-dicarboxylate dichloride
CID 172851166
benzyl 4-propanethioylpiperazine-1-carboxylate
CID 123985918
benzyl 4-(2-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 23077829
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568153
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(2-cyanoacetyl)piperazine-1-carboxylate
CID 108567498

Frequently Asked Questions

What is the IUPAC name of benzyl aziridine-1-carboxylate;silane?
The IUPAC name of benzyl aziridine-1-carboxylate;silane (CID 158496499) is benzyl aziridine-1-carboxylate;silane.
What is the SMILES notation for benzyl aziridine-1-carboxylate;silane?
The canonical SMILES for benzyl aziridine-1-carboxylate;silane is O=C(OCc1ccccc1)N1CC1.[SiH4].
What is the InChIKey of benzyl aziridine-1-carboxylate;silane?
The InChIKey is HJIXEPYNKSAWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.H4Si/c12-10(11-6-7-11)13-8-9-4-2-1-3-5-9;/h1-5H,6-8H2;1H4.
What are the key properties of benzyl aziridine-1-carboxylate;silane?
benzyl aziridine-1-carboxylate;silane has a molecular weight of 209.32 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl aziridine-1-carboxylate;silane is sourced from PubChem (CID 158496499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).