(E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine

C6H12N2O3Si — CID 11063168

IUPAC(E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine
SMILESC[Si](C)(C)O/N=C/C=C/[N+](=O)[O-]
InChIInChI=1S/C6H12N2O3Si/c1-12(2,3)11-7-5-4-6-8(9)10/h4-6H,1-3H3/b6-4+,7-5+
InChIKeyOIQQXRHZCIBSKA-YDFGWWAZSA-N
MW188.26 g/mol
LogP1.61
Rot. Bonds4

About (E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine

(E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine (PubChem CID 11063168) has the molecular formula C6H12N2O3Si and a molecular weight of 188.26 g/mol. Its IUPAC name is (E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine
PubChem CID11063168
Molecular FormulaC6H12N2O3Si
Molecular Weight188.26 g/mol
Exact Mass188.06
IUPAC Name(E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine
SMILESC[Si](C)(C)O/N=C/C=C/[N+](=O)[O-]
InChIInChI=1S/C6H12N2O3Si/c1-12(2,3)11-7-5-4-6-8(9)10/h4-6H,1-3H3/b6-4+,7-5+
InChIKeyOIQQXRHZCIBSKA-YDFGWWAZSA-N
XLogP1.61
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine?
The IUPAC name of (E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine (CID 11063168) is (E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine.
What is the SMILES notation for (E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine?
The canonical SMILES for (E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine is C[Si](C)(C)O/N=C/C=C/[N+](=O)[O-].
What is the InChIKey of (E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine?
The InChIKey is OIQQXRHZCIBSKA-YDFGWWAZSA-N. The full InChI is InChI=1S/C6H12N2O3Si/c1-12(2,3)11-7-5-4-6-8(9)10/h4-6H,1-3H3/b6-4+,7-5+.
What are the key properties of (E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine?
(E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine has a molecular weight of 188.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-3-nitro-N-trimethylsilyloxyprop-2-en-1-imine is sourced from PubChem (CID 11063168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).