CID 87330958

C4H10NOSi — CID 87330958

IUPAC—
SMILESC[Si](C)C.N=C=O
InChIInChI=1S/C3H9Si.CHNO/c1-4(2)3;2-1-3/h1-3H3;2H
InChIKeyVJVGTFFUHJRADL-UHFFFAOYSA-N
MW116.22 g/mol
LogP1.27
Rot. Bonds

About CID 87330958

CID 87330958 (PubChem CID 87330958) has the molecular formula C4H10NOSi and a molecular weight of 116.22 g/mol.

Molecular Properties

Compound NameCID 87330958
PubChem CID87330958
Molecular FormulaC4H10NOSi
Molecular Weight116.22 g/mol
Exact Mass116.05
IUPAC Name—
SMILESC[Si](C)C.N=C=O
InChIInChI=1S/C3H9Si.CHNO/c1-4(2)3;2-1-3/h1-3H3;2H
InChIKeyVJVGTFFUHJRADL-UHFFFAOYSA-N
XLogP1.27
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.22
LogP ≤ 51.27
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'}

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Related Compounds

Trimethylsilyl isocyanate
CID 70696
Trimethylsilylcarbonsaureamid
CID 23035967
CID 17874555
CID 17874555
[Dimethyl(trimethylsilylmethyl)silyl]formamide
CID 23130196
CID 87192177
CID 87192177
Dimethoxy(dimethyl)silane;isocyanic acid
CID 87261467
N-dimethylbismuthanyl-1-trimethylsilylformamide
CID 88194409
CID 88793371
CID 88793371
Isocyanic acid;trimethylsilane
CID 158506023
Isocyanic acid;tetramethylsilane
CID 172764725
Isocyanic acid;tetramethylsilane
CID 172795388
Isocyanic acid;methoxy(trimethyl)silane
CID 172832895

Frequently Asked Questions

What is the IUPAC name of CID 87330958?
The IUPAC name of CID 87330958 (CID 87330958) is not available.
What is the SMILES notation for CID 87330958?
The canonical SMILES for CID 87330958 is C[Si](C)C.N=C=O.
What is the InChIKey of CID 87330958?
The InChIKey is VJVGTFFUHJRADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9Si.CHNO/c1-4(2)3;2-1-3/h1-3H3;2H.
What are the key properties of CID 87330958?
CID 87330958 has a molecular weight of 116.22 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87330958 is sourced from PubChem (CID 87330958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).