ethene;isocyanic acid;silane

C5H11N3O3Si — CID 173153102

IUPACethene;isocyanic acid;silane
SMILESC=C.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/C2H4.3CHNO.H4Si/c1-2;3*2-1-3;/h1-2H2;3*2H;1H4
InChIKeyQVSKPIHUDBNBNM-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.95
Rot. Bonds

About ethene;isocyanic acid;silane

ethene;isocyanic acid;silane (PubChem CID 173153102) has the molecular formula C5H11N3O3Si and a molecular weight of 189.25 g/mol. Its IUPAC name is ethene;isocyanic acid;silane.

Molecular Properties

Compound Nameethene;isocyanic acid;silane
PubChem CID173153102
Molecular FormulaC5H11N3O3Si
Molecular Weight189.25 g/mol
Exact Mass189.06
IUPAC Nameethene;isocyanic acid;silane
SMILESC=C.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/C2H4.3CHNO.H4Si/c1-2;3*2-1-3;/h1-2H2;3*2H;1H4
InChIKeyQVSKPIHUDBNBNM-UHFFFAOYSA-N
XLogP-0.95
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.95
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethene;isocyanic acid
CID 87059364
Ethenylsilane;isocyanic acid
CID 172759413
Ethene;isocyanic acid
CID 172763910
Ethene;isocyanic acid
CID 172837190
Ethene;isocyanic acid
CID 172838328
Ethene;isocyanic acid;silane
CID 173152994

Frequently Asked Questions

What is the IUPAC name of ethene;isocyanic acid;silane?
The IUPAC name of ethene;isocyanic acid;silane (CID 173153102) is ethene;isocyanic acid;silane.
What is the SMILES notation for ethene;isocyanic acid;silane?
The canonical SMILES for ethene;isocyanic acid;silane is C=C.N=C=O.N=C=O.N=C=O.[SiH4].
What is the InChIKey of ethene;isocyanic acid;silane?
The InChIKey is QVSKPIHUDBNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.3CHNO.H4Si/c1-2;3*2-1-3;/h1-2H2;3*2H;1H4.
What are the key properties of ethene;isocyanic acid;silane?
ethene;isocyanic acid;silane has a molecular weight of 189.25 g/mol, XLogP of -0.95, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;isocyanic acid;silane is sourced from PubChem (CID 173153102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).