isocyanic acid;propylsilane

C6H13N3O3Si — CID 173368567

IUPACisocyanic acid;propylsilane
SMILESCCC[SiH3].N=C=O.N=C=O.N=C=O
InChIInChI=1S/C3H10Si.3CHNO/c1-2-3-4;3*2-1-3/h2-3H2,1,4H3;3*2H
InChIKeyAXVASEJRDUPERS-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.12
Rot. Bonds1

About isocyanic acid;propylsilane

isocyanic acid;propylsilane (PubChem CID 173368567) has the molecular formula C6H13N3O3Si and a molecular weight of 203.27 g/mol. Its IUPAC name is isocyanic acid;propylsilane.

Molecular Properties

Compound Nameisocyanic acid;propylsilane
PubChem CID173368567
Molecular FormulaC6H13N3O3Si
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Nameisocyanic acid;propylsilane
SMILESCCC[SiH3].N=C=O.N=C=O.N=C=O
InChIInChI=1S/C3H10Si.3CHNO/c1-2-3-4;3*2-1-3/h2-3H2,1,4H3;3*2H
InChIKeyAXVASEJRDUPERS-UHFFFAOYSA-N
XLogP-0.12
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.12
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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Frequently Asked Questions

What is the IUPAC name of isocyanic acid;propylsilane?
The IUPAC name of isocyanic acid;propylsilane (CID 173368567) 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.N=C=O.N=C=O.
What is the InChIKey of isocyanic acid;propylsilane?
The InChIKey is AXVASEJRDUPERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10Si.3CHNO/c1-2-3-4;3*2-1-3/h2-3H2,1,4H3;3*2H.
What are the key properties of isocyanic acid;propylsilane?
isocyanic acid;propylsilane has a molecular weight of 203.27 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;propylsilane is sourced from PubChem (CID 173368567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).