4-[(E)-2-(4-nitrophenyl)ethenyl]aniline

C14H12N2O2 — CID 5376981

IUPAC4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(17)18/h1-10H,15H2/b2-1+
InChIKeyCHIJEKAVDZLCJA-OWOJBTEDSA-N
MW240.26 g/mol
LogP3.35
Rot. Bonds3

About 4-[(E)-2-(4-nitrophenyl)ethenyl]aniline

4-[(E)-2-(4-nitrophenyl)ethenyl]aniline (PubChem CID 5376981) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[(E)-2-(4-nitrophenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
PubChem CID5376981
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(17)18/h1-10H,15H2/b2-1+
InChIKeyCHIJEKAVDZLCJA-OWOJBTEDSA-N
XLogP3.35
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
4-[(E)-2-[5-[5-[(E)-2-(4-nitrophenyl)ethenyl]thiophen-2-yl]sulfanylthiophen-2-yl]ethenyl]aniline
CID 101063360
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
azane;formic acid;4-nitroaniline
CID 175013455
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 54412379
arsoric acid;tris(4-nitroaniline)
CID 175201940
4-nitroaniline;perchloric acid
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1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-nitrophenyl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(4-nitrophenyl)ethenyl]aniline (CID 5376981) is 4-[(E)-2-(4-nitrophenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4-nitrophenyl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(4-nitrophenyl)ethenyl]aniline is Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-nitrophenyl)ethenyl]aniline?
The InChIKey is CHIJEKAVDZLCJA-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(17)18/h1-10H,15H2/b2-1+.
What are the key properties of 4-[(E)-2-(4-nitrophenyl)ethenyl]aniline?
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline has a molecular weight of 240.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-nitrophenyl)ethenyl]aniline is sourced from PubChem (CID 5376981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).