benzyl(nitro)silane

C7H9NO2Si — CID 154448614

IUPACbenzyl(nitro)silane
SMILESO=[N+]([O-])[SiH2]Cc1ccccc1
InChIInChI=1S/C7H9NO2Si/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6,11H2
InChIKeyFTLWYQOYUSSWTM-UHFFFAOYSA-N
MW167.24 g/mol
LogP0.55
Rot. Bonds3

About benzyl(nitro)silane

benzyl(nitro)silane (PubChem CID 154448614) has the molecular formula C7H9NO2Si and a molecular weight of 167.24 g/mol. Its IUPAC name is benzyl(nitro)silane.

Molecular Properties

Compound Namebenzyl(nitro)silane
PubChem CID154448614
Molecular FormulaC7H9NO2Si
Molecular Weight167.24 g/mol
Exact Mass167.04
IUPAC Namebenzyl(nitro)silane
SMILESO=[N+]([O-])[SiH2]Cc1ccccc1
InChIInChI=1S/C7H9NO2Si/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6,11H2
InChIKeyFTLWYQOYUSSWTM-UHFFFAOYSA-N
XLogP0.55
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methanol;nitromethylbenzene
CID 175133147
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
O-nitro 2-phenylethanethioate
CID 139654311
(nitrodisulfanyl)methylbenzene
CID 175313203
benzyl-hydroxy-nitrosilane
CID 173324687
nitrobenzene;phenylmethanol
CID 160558550
nitrosulfanylmethylbenzene;phosphoric acid;trihydrate
CID 174965770
1-benzyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
CID 6939615
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
1,1-dinitroethane;nitromethylbenzene
CID 88650316
1,3-dinitrobenzene;2-phenylethylbenzene
CID 174564688
2-nitro-3-oxo-4-phenylbutanenitrile
CID 170923353

Frequently Asked Questions

What is the IUPAC name of benzyl(nitro)silane?
The IUPAC name of benzyl(nitro)silane (CID 154448614) is benzyl(nitro)silane.
What is the SMILES notation for benzyl(nitro)silane?
The canonical SMILES for benzyl(nitro)silane is O=[N+]([O-])[SiH2]Cc1ccccc1.
What is the InChIKey of benzyl(nitro)silane?
The InChIKey is FTLWYQOYUSSWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2Si/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6,11H2.
What are the key properties of benzyl(nitro)silane?
benzyl(nitro)silane has a molecular weight of 167.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(nitro)silane is sourced from PubChem (CID 154448614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).