ethenylsilane;isocyanic acid

C5H9N3O3Si — CID 172759413

IUPACethenylsilane;isocyanic acid
SMILESC=C[SiH3].N=C=O.N=C=O.N=C=O
InChIInChI=1S/C2H6Si.3CHNO/c1-2-3;3*2-1-3/h2H,1H2,3H3;3*2H
InChIKeyLMAKPJPORLRXDX-UHFFFAOYSA-N
MW187.23 g/mol
LogP-0.80
Rot. Bonds

About ethenylsilane;isocyanic acid

ethenylsilane;isocyanic acid (PubChem CID 172759413) has the molecular formula C5H9N3O3Si and a molecular weight of 187.23 g/mol. Its IUPAC name is ethenylsilane;isocyanic acid.

Molecular Properties

Compound Nameethenylsilane;isocyanic acid
PubChem CID172759413
Molecular FormulaC5H9N3O3Si
Molecular Weight187.23 g/mol
Exact Mass187.04
IUPAC Nameethenylsilane;isocyanic acid
SMILESC=C[SiH3].N=C=O.N=C=O.N=C=O
InChIInChI=1S/C2H6Si.3CHNO/c1-2-3;3*2-1-3/h2H,1H2,3H3;3*2H
InChIKeyLMAKPJPORLRXDX-UHFFFAOYSA-N
XLogP-0.80
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Ethene;isocyanic acid;silane
CID 173152994
Ethene;isocyanic acid;silane
CID 173153102
Ethylsilane;isocyanic acid
CID 173368660
Isocyanic acid;prop-2-enylsilane
CID 173407529
isocyanic acid;1H-silirene
CID 175757621

Frequently Asked Questions

What is the IUPAC name of ethenylsilane;isocyanic acid?
The IUPAC name of ethenylsilane;isocyanic acid (CID 172759413) is ethenylsilane;isocyanic acid.
What is the SMILES notation for ethenylsilane;isocyanic acid?
The canonical SMILES for ethenylsilane;isocyanic acid is C=C[SiH3].N=C=O.N=C=O.N=C=O.
What is the InChIKey of ethenylsilane;isocyanic acid?
The InChIKey is LMAKPJPORLRXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6Si.3CHNO/c1-2-3;3*2-1-3/h2H,1H2,3H3;3*2H.
What are the key properties of ethenylsilane;isocyanic acid?
ethenylsilane;isocyanic acid has a molecular weight of 187.23 g/mol, XLogP of -0.80, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylsilane;isocyanic acid is sourced from PubChem (CID 172759413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).