(E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine

C16H14N2O2 — CID 177420573

IUPAC(E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine
SMILESC/C=C(/C=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-2-13(14-6-4-3-5-7-14)12-17-15-8-10-16(11-9-15)18(19)20/h2-12H,1H3/b13-2-,17-12+
InChIKeyYLICTMXCZZFKOO-KRPWEHSVSA-N
MW266.30 g/mol
LogP4.40
Rot. Bonds4

About (E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine

(E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine (PubChem CID 177420573) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine
PubChem CID177420573
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine
SMILESC/C=C(/C=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-2-13(14-6-4-3-5-7-14)12-17-15-8-10-16(11-9-15)18(19)20/h2-12H,1H3/b13-2-,17-12+
InChIKeyYLICTMXCZZFKOO-KRPWEHSVSA-N
XLogP4.40
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(4-nitrophenyl)-phenyldiazene
CID 17222
(4-nitrophenyl) N-phenylbenzenecarboximidothioate
CID 601888
4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide
CID 11450808
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
ethyl 3-hydroxy-2-[(4-nitrophenyl)iminomethyl]but-2-enoate
CID 137147090
2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol
CID 135885630
diphenylmethanone;1-methyl-4-nitrobenzene
CID 160968328
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
(4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene
CID 22625442
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 13000099

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine?
The IUPAC name of (E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine (CID 177420573) is (E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine?
The canonical SMILES for (E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine is C/C=C(/C=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of (E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine?
The InChIKey is YLICTMXCZZFKOO-KRPWEHSVSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-13(14-6-4-3-5-7-14)12-17-15-8-10-16(11-9-15)18(19)20/h2-12H,1H3/b13-2-,17-12+.
What are the key properties of (E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine?
(E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine has a molecular weight of 266.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine is sourced from PubChem (CID 177420573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).