anilinosilyl nitrite

C6H8N2O2Si — CID 175058720

IUPACanilinosilyl nitrite
SMILESO=NO[SiH2]Nc1ccccc1
InChIInChI=1S/C6H8N2O2Si/c9-8-10-11-7-6-4-2-1-3-5-6/h1-5,7H,11H2
InChIKeyMTPIRPWSRLUQGR-UHFFFAOYSA-N
MW168.23 g/mol
LogP0.80
Rot. Bonds4

About anilinosilyl nitrite

anilinosilyl nitrite (PubChem CID 175058720) has the molecular formula C6H8N2O2Si and a molecular weight of 168.23 g/mol. Its IUPAC name is anilinosilyl nitrite.

Molecular Properties

Compound Nameanilinosilyl nitrite
PubChem CID175058720
Molecular FormulaC6H8N2O2Si
Molecular Weight168.23 g/mol
Exact Mass168.04
IUPAC Nameanilinosilyl nitrite
SMILESO=NO[SiH2]Nc1ccccc1
InChIInChI=1S/C6H8N2O2Si/c9-8-10-11-7-6-4-2-1-3-5-6/h1-5,7H,11H2
InChIKeyMTPIRPWSRLUQGR-UHFFFAOYSA-N
XLogP0.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anilinosilyl nitrite?
The IUPAC name of anilinosilyl nitrite (CID 175058720) is anilinosilyl nitrite.
What is the SMILES notation for anilinosilyl nitrite?
The canonical SMILES for anilinosilyl nitrite is O=NO[SiH2]Nc1ccccc1.
What is the InChIKey of anilinosilyl nitrite?
The InChIKey is MTPIRPWSRLUQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2Si/c9-8-10-11-7-6-4-2-1-3-5-6/h1-5,7H,11H2.
What are the key properties of anilinosilyl nitrite?
anilinosilyl nitrite has a molecular weight of 168.23 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anilinosilyl nitrite is sourced from PubChem (CID 175058720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).