(E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine

C12H15BrN2O3Si — CID 134871816

IUPAC(E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine
SMILESC[Si](C)(C)OC(=C\Br)/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15BrN2O3Si/c1-19(2,3)18-12(8-13)14-9-10-4-6-11(7-5-10)15(16)17/h4-9H,1-3H3/b12-8-,14-9+
InChIKeyNPLMCKDNKQLBSF-WNEGCBGQSA-N
MW343.25 g/mol
LogP4.06
Rot. Bonds5

About (E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine

(E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine (PubChem CID 134871816) has the molecular formula C12H15BrN2O3Si and a molecular weight of 343.25 g/mol. Its IUPAC name is (E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine
PubChem CID134871816
Molecular FormulaC12H15BrN2O3Si
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Name(E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine
SMILESC[Si](C)(C)OC(=C\Br)/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15BrN2O3Si/c1-19(2,3)18-12(8-13)14-9-10-4-6-11(7-5-10)15(16)17/h4-9H,1-3H3/b12-8-,14-9+
InChIKeyNPLMCKDNKQLBSF-WNEGCBGQSA-N
XLogP4.06
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)-N-trimethylsilylmethanimine
CID 71350619
trimethylsilyl 4-nitrobenzoate
CID 12579305
(E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine
CID 12969860
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
methyl (2S)-2-[(4-nitrophenyl)methylideneamino]propanoate
CID 102018768
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine
CID 139599982
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine?
The IUPAC name of (E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine (CID 134871816) is (E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for (E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine?
The canonical SMILES for (E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine is C[Si](C)(C)OC(=C\Br)/N=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine?
The InChIKey is NPLMCKDNKQLBSF-WNEGCBGQSA-N. The full InChI is InChI=1S/C12H15BrN2O3Si/c1-19(2,3)18-12(8-13)14-9-10-4-6-11(7-5-10)15(16)17/h4-9H,1-3H3/b12-8-,14-9+.
What are the key properties of (E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine?
(E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine has a molecular weight of 343.25 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-2-bromo-1-trimethylsilyloxyethenyl]-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 134871816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).