isocyanic acid;propylsilane

C4H11NOSi — CID 172805937

IUPACisocyanic acid;propylsilane
SMILESCCC[SiH3].N=C=O
InChIInChI=1S/C3H10Si.CHNO/c1-2-3-4;2-1-3/h2-3H2,1,4H3;2H
InChIKeyRMXVWRDUXSHCEY-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.08
Rot. Bonds1

About isocyanic acid;propylsilane

isocyanic acid;propylsilane (PubChem CID 172805937) has the molecular formula C4H11NOSi and a molecular weight of 117.22 g/mol. Its IUPAC name is isocyanic acid;propylsilane.

Molecular Properties

Compound Nameisocyanic acid;propylsilane
PubChem CID172805937
Molecular FormulaC4H11NOSi
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Nameisocyanic acid;propylsilane
SMILESCCC[SiH3].N=C=O
InChIInChI=1S/C3H10Si.CHNO/c1-2-3-4;2-1-3/h2-3H2,1,4H3;2H
InChIKeyRMXVWRDUXSHCEY-UHFFFAOYSA-N
XLogP0.08
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;propylsilane with MolForge

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

Launch Full Analysis

Related Compounds

butane;ethane;isocyanic acid
CID 175178457
isocyanic acid;methane;propane
CID 174983987
hexadecane;isocyanic acid
CID 159966047
icosane;isocyanic acid
CID 87494642
isocyanic acid;propan-1-ol
CID 87862786
heptane;isocyanic acid
CID 87075966
isocyanic acid;propan-1-ol
CID 172714127
propylsilane;silane
CID 161307657
ethanol;isocyanic acid;silane
CID 173153044
cyclohexane;isocyanic acid;propane
CID 173088956
benzene;isocyanic acid;propane
CID 174890034
cyclohexane;isocyanic acid;nonadecane
CID 173074334

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;propylsilane?
The IUPAC name of isocyanic acid;propylsilane (CID 172805937) is isocyanic acid;propylsilane.
What is the SMILES notation for isocyanic acid;propylsilane?
The canonical SMILES for isocyanic acid;propylsilane is CCC[SiH3].N=C=O.
What is the InChIKey of isocyanic acid;propylsilane?
The InChIKey is RMXVWRDUXSHCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10Si.CHNO/c1-2-3-4;2-1-3/h2-3H2,1,4H3;2H.
What are the key properties of isocyanic acid;propylsilane?
isocyanic acid;propylsilane has a molecular weight of 117.22 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;propylsilane is sourced from PubChem (CID 172805937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).