isocyanic acid;methane;silane

C4H11N3O3Si — CID 173031997

IUPACisocyanic acid;methane;silane
SMILESC.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/3CHNO.CH4.H4Si/c3*2-1-3;;/h3*2H;2*1H4
InChIKeyWURXDJBVPNPFAO-UHFFFAOYSA-N
MW177.24 g/mol
LogP-1.11
Rot. Bonds

About isocyanic acid;methane;silane

isocyanic acid;methane;silane (PubChem CID 173031997) has the molecular formula C4H11N3O3Si and a molecular weight of 177.24 g/mol. Its IUPAC name is isocyanic acid;methane;silane.

Molecular Properties

Compound Nameisocyanic acid;methane;silane
PubChem CID173031997
Molecular FormulaC4H11N3O3Si
Molecular Weight177.24 g/mol
Exact Mass177.06
IUPAC Nameisocyanic acid;methane;silane
SMILESC.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/3CHNO.CH4.H4Si/c3*2-1-3;;/h3*2H;2*1H4
InChIKeyWURXDJBVPNPFAO-UHFFFAOYSA-N
XLogP-1.11
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-1.11
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'}

Analyze isocyanic acid;methane;silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;methane;silane?
The IUPAC name of isocyanic acid;methane;silane (CID 173031997) is isocyanic acid;methane;silane.
What is the SMILES notation for isocyanic acid;methane;silane?
The canonical SMILES for isocyanic acid;methane;silane is C.N=C=O.N=C=O.N=C=O.[SiH4].
What is the InChIKey of isocyanic acid;methane;silane?
The InChIKey is WURXDJBVPNPFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHNO.CH4.H4Si/c3*2-1-3;;/h3*2H;2*1H4.
What are the key properties of isocyanic acid;methane;silane?
isocyanic acid;methane;silane has a molecular weight of 177.24 g/mol, XLogP of -1.11, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;methane;silane is sourced from PubChem (CID 173031997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).