(E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine

C16H14N2O3 — CID 139070229

IUPAC(E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine
SMILESCOc1ccccc1/N=C/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O3/c1-21-16-11-5-3-9-14(16)17-12-6-8-13-7-2-4-10-15(13)18(19)20/h2-12H,1H3/b8-6+,17-12+
InChIKeyFJYXSBHLQMFPFX-GBVVBBQNSA-N
MW282.30 g/mol
LogP4.02
Rot. Bonds5

About (E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine

(E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine (PubChem CID 139070229) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine
PubChem CID139070229
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine
SMILESCOc1ccccc1/N=C/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O3/c1-21-16-11-5-3-9-14(16)17-12-6-8-13-7-2-4-10-15(13)18(19)20/h2-12H,1H3/b8-6+,17-12+
InChIKeyFJYXSBHLQMFPFX-GBVVBBQNSA-N
XLogP4.02
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.02
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

3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
dimethyl 5-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzene-1,3-dicarboxylate
CID 90486703
(E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 101072147
(E,E)-3-(2-nitrophenyl)-N-(1H-pyrazol-5-yl)prop-2-en-1-imine
CID 177383525
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
CID 92534356
(2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
CID 78784337
(E)-3-(2-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 6214037
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide
CID 90423542
N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287
1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine
CID 3758923

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine?
The IUPAC name of (E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine (CID 139070229) is (E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine is COc1ccccc1/N=C/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine?
The InChIKey is FJYXSBHLQMFPFX-GBVVBBQNSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-16-11-5-3-9-14(16)17-12-6-8-13-7-2-4-10-15(13)18(19)20/h2-12H,1H3/b8-6+,17-12+.
What are the key properties of (E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine?
(E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine has a molecular weight of 282.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine is sourced from PubChem (CID 139070229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).