isocyanic acid;1H-silirene

C4H6N2O2Si — CID 175757621

IUPACisocyanic acid;1H-silirene
SMILESC1=C[SiH2]1.N=C=O.N=C=O
InChIInChI=1S/C2H4Si.2CHNO/c1-2-3-1;2*2-1-3/h1-2H,3H2;2*2H
InChIKeyKNWCIBYDETYRMZ-UHFFFAOYSA-N
MW142.19 g/mol
LogP-0.56
Rot. Bonds

About isocyanic acid;1H-silirene

isocyanic acid;1H-silirene (PubChem CID 175757621) has the molecular formula C4H6N2O2Si and a molecular weight of 142.19 g/mol. Its IUPAC name is isocyanic acid;1H-silirene.

Molecular Properties

Compound Nameisocyanic acid;1H-silirene
PubChem CID175757621
Molecular FormulaC4H6N2O2Si
Molecular Weight142.19 g/mol
Exact Mass142.02
IUPAC Nameisocyanic acid;1H-silirene
SMILESC1=C[SiH2]1.N=C=O.N=C=O
InChIInChI=1S/C2H4Si.2CHNO/c1-2-3-1;2*2-1-3/h1-2H,3H2;2*2H
InChIKeyKNWCIBYDETYRMZ-UHFFFAOYSA-N
XLogP-0.56
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

Ethenylsilane;isocyanic acid
CID 172759413

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;1H-silirene?
The IUPAC name of isocyanic acid;1H-silirene (CID 175757621) is isocyanic acid;1H-silirene.
What is the SMILES notation for isocyanic acid;1H-silirene?
The canonical SMILES for isocyanic acid;1H-silirene is C1=C[SiH2]1.N=C=O.N=C=O.
What is the InChIKey of isocyanic acid;1H-silirene?
The InChIKey is KNWCIBYDETYRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Si.2CHNO/c1-2-3-1;2*2-1-3/h1-2H,3H2;2*2H.
What are the key properties of isocyanic acid;1H-silirene?
isocyanic acid;1H-silirene has a molecular weight of 142.19 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;1H-silirene is sourced from PubChem (CID 175757621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).