CID 22011647

C3H3NOSi — CID 22011647

IUPAC—
SMILESC=C[Si]N=C=O
InChIInChI=1S/C3H3NOSi/c1-2-6-4-3-5/h2H,1H2
InChIKeyDQPPLTNUWHTXOX-UHFFFAOYSA-N
MW97.15 g/mol
LogP0.08
Rot. Bonds2

About CID 22011647

CID 22011647 (PubChem CID 22011647) has the molecular formula C3H3NOSi and a molecular weight of 97.15 g/mol.

Molecular Properties

Compound NameCID 22011647
PubChem CID22011647
Molecular FormulaC3H3NOSi
Molecular Weight97.15 g/mol
Exact Mass97.00
IUPAC Name—
SMILESC=C[Si]N=C=O
InChIInChI=1S/C3H3NOSi/c1-2-6-4-3-5/h2H,1H2
InChIKeyDQPPLTNUWHTXOX-UHFFFAOYSA-N
XLogP0.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.15
LogP ≤ 50.08
H-Bond Donors ≤ 50
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

isocyanatoethene;methane
CID 162270970
CID 156695401
CID 156695401
formaldehyde;rhenium
CID 18767561
[[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane
CID 141102757
2-oxobut-3-enoyl isocyanate
CID 54312002
3-isocyanatoselanylprop-1-ene
CID 22372934
2-ethenyliminoethenone
CID 91564321
CID 19914848
CID 19914848
3-isocyanatopent-1-ene
CID 168869784
prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride
CID 174949820
isocyanato(methoxy)methane;prop-1-ene
CID 161361687
ethenylsilane;isocyanic acid
CID 172759413

Frequently Asked Questions

What is the IUPAC name of CID 22011647?
The IUPAC name of CID 22011647 (CID 22011647) is not available.
What is the SMILES notation for CID 22011647?
The canonical SMILES for CID 22011647 is C=C[Si]N=C=O.
What is the InChIKey of CID 22011647?
The InChIKey is DQPPLTNUWHTXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NOSi/c1-2-6-4-3-5/h2H,1H2.
What are the key properties of CID 22011647?
CID 22011647 has a molecular weight of 97.15 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22011647 is sourced from PubChem (CID 22011647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).