(E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine

C11H14N2O3 — CID 12969860

IUPAC(E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine
SMILESCC(C)(C)O/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O3/c1-11(2,3)16-12-8-9-4-6-10(7-5-9)13(14)15/h4-8H,1-3H3/b12-8+
InChIKeyXTJQNZYIJXJBIC-XYOKQWHBSA-N
MW222.24 g/mol
LogP2.74
Rot. Bonds3

About (E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine

(E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine (PubChem CID 12969860) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine
PubChem CID12969860
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine
SMILESCC(C)(C)O/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O3/c1-11(2,3)16-12-8-9-4-6-10(7-5-9)13(14)15/h4-8H,1-3H3/b12-8+
InChIKeyXTJQNZYIJXJBIC-XYOKQWHBSA-N
XLogP2.74
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(NE,R)-2-methyl-N-[(4-nitrophenyl)methylidene]propane-2-sulfinamide
CID 11207533
[(E)-3-(4-nitrophenyl)prop-2-enoyl] 2,2-dimethylpropanoate
CID 11219639
1-(4-nitrophenyl)-N-trimethylsilylmethanimine
CID 71350619
(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
CID 7705187
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
CID 12555318
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
1,3,5-trimethoxy-2,4,6-tris[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 15542576
ethyl 3-[(E)-(4-nitrophenyl)methylideneamino]oxypropanoate
CID 11425592
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine?
The IUPAC name of (E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine (CID 12969860) is (E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for (E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine?
The canonical SMILES for (E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine is CC(C)(C)O/N=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine?
The InChIKey is XTJQNZYIJXJBIC-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2,3)16-12-8-9-4-6-10(7-5-9)13(14)15/h4-8H,1-3H3/b12-8+.
What are the key properties of (E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine?
(E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine has a molecular weight of 222.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 12969860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).