isocyanic acid;prop-1-en-2-yloxysilane

C4H9NO2Si — CID 174904622

IUPACisocyanic acid;prop-1-en-2-yloxysilane
SMILESC=C(C)O[SiH3].N=C=O
InChIInChI=1S/C3H8OSi.CHNO/c1-3(2)4-5;2-1-3/h1H2,2,5H3;2H
InChIKeyOSLQXBGGTBDHSF-UHFFFAOYSA-N
MW131.21 g/mol
LogP-0.28
Rot. Bonds1

About isocyanic acid;prop-1-en-2-yloxysilane

isocyanic acid;prop-1-en-2-yloxysilane (PubChem CID 174904622) has the molecular formula C4H9NO2Si and a molecular weight of 131.21 g/mol. Its IUPAC name is isocyanic acid;prop-1-en-2-yloxysilane.

Molecular Properties

Compound Nameisocyanic acid;prop-1-en-2-yloxysilane
PubChem CID174904622
Molecular FormulaC4H9NO2Si
Molecular Weight131.21 g/mol
Exact Mass131.04
IUPAC Nameisocyanic acid;prop-1-en-2-yloxysilane
SMILESC=C(C)O[SiH3].N=C=O
InChIInChI=1S/C3H8OSi.CHNO/c1-3(2)4-5;2-1-3/h1H2,2,5H3;2H
InChIKeyOSLQXBGGTBDHSF-UHFFFAOYSA-N
XLogP-0.28
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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;prop-1-en-2-yloxysilane?
The IUPAC name of isocyanic acid;prop-1-en-2-yloxysilane (CID 174904622) is isocyanic acid;prop-1-en-2-yloxysilane.
What is the SMILES notation for isocyanic acid;prop-1-en-2-yloxysilane?
The canonical SMILES for isocyanic acid;prop-1-en-2-yloxysilane is C=C(C)O[SiH3].N=C=O.
What is the InChIKey of isocyanic acid;prop-1-en-2-yloxysilane?
The InChIKey is OSLQXBGGTBDHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OSi.CHNO/c1-3(2)4-5;2-1-3/h1H2,2,5H3;2H.
What are the key properties of isocyanic acid;prop-1-en-2-yloxysilane?
isocyanic acid;prop-1-en-2-yloxysilane has a molecular weight of 131.21 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;prop-1-en-2-yloxysilane is sourced from PubChem (CID 174904622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).