4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile

C12H14N2O — CID 121013328

IUPAC4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile
SMILESCC(C)(C)O/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O/c1-12(2,3)15-14-9-11-6-4-10(8-13)5-7-11/h4-7,9H,1-3H3/b14-9+
InChIKeyLRLJNUSZIVKITA-NTEUORMPSA-N
MW202.26 g/mol
LogP2.71
Rot. Bonds2

About 4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile

4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile (PubChem CID 121013328) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile
PubChem CID121013328
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile
SMILESCC(C)(C)O/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O/c1-12(2,3)15-14-9-11-6-4-10(8-13)5-7-11/h4-7,9H,1-3H3/b14-9+
InChIKeyLRLJNUSZIVKITA-NTEUORMPSA-N
XLogP2.71
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine
CID 12969860
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-(ethyliminomethyl)benzonitrile
CID 12927009
tert-butyl 3-(4-cyanophenyl)prop-2-enoate
CID 66690910
sodium 4-[(Z)-oxidoiminomethyl]benzonitrile
CID 101116891
4-[(E)-benzylideneamino]oxybenzonitrile
CID 24974418
4-prop-1-enylbenzonitrile
CID 68719840
4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile
CID 168530991
4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile
CID 75265021
4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile
CID 86728880
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
CID 75481575

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile?
The IUPAC name of 4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile (CID 121013328) is 4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile.
What is the SMILES notation for 4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile?
The canonical SMILES for 4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile is CC(C)(C)O/N=C/c1ccc(C#N)cc1.
What is the InChIKey of 4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile?
The InChIKey is LRLJNUSZIVKITA-NTEUORMPSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2,3)15-14-9-11-6-4-10(8-13)5-7-11/h4-7,9H,1-3H3/b14-9+.
What are the key properties of 4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile?
4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile has a molecular weight of 202.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile is sourced from PubChem (CID 121013328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).