isocyanic acid;prop-2-enylsilane

C5H10N2O2Si — CID 173407529

IUPACisocyanic acid;prop-2-enylsilane
SMILESC=CC[SiH3].N=C=O.N=C=O
InChIInChI=1S/C3H8Si.2CHNO/c1-2-3-4;2*2-1-3/h2H,1,3H2,4H3;2*2H
InChIKeyBDTKDRNILRULFF-UHFFFAOYSA-N
MW158.23 g/mol
LogP-0.24
Rot. Bonds1

About isocyanic acid;prop-2-enylsilane

isocyanic acid;prop-2-enylsilane (PubChem CID 173407529) has the molecular formula C5H10N2O2Si and a molecular weight of 158.23 g/mol. Its IUPAC name is isocyanic acid;prop-2-enylsilane.

Molecular Properties

Compound Nameisocyanic acid;prop-2-enylsilane
PubChem CID173407529
Molecular FormulaC5H10N2O2Si
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Nameisocyanic acid;prop-2-enylsilane
SMILESC=CC[SiH3].N=C=O.N=C=O
InChIInChI=1S/C3H8Si.2CHNO/c1-2-3-4;2*2-1-3/h2H,1,3H2,4H3;2*2H
InChIKeyBDTKDRNILRULFF-UHFFFAOYSA-N
XLogP-0.24
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of isocyanic acid;prop-2-enylsilane?
The IUPAC name of isocyanic acid;prop-2-enylsilane (CID 173407529) is isocyanic acid;prop-2-enylsilane.
What is the SMILES notation for isocyanic acid;prop-2-enylsilane?
The canonical SMILES for isocyanic acid;prop-2-enylsilane is C=CC[SiH3].N=C=O.N=C=O.
What is the InChIKey of isocyanic acid;prop-2-enylsilane?
The InChIKey is BDTKDRNILRULFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Si.2CHNO/c1-2-3-4;2*2-1-3/h2H,1,3H2,4H3;2*2H.
What are the key properties of isocyanic acid;prop-2-enylsilane?
isocyanic acid;prop-2-enylsilane has a molecular weight of 158.23 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;prop-2-enylsilane is sourced from PubChem (CID 173407529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).