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

C14H12N2O2 — CID 11053766

IUPAC2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
SMILESNc1ccccc1/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(17)18/h1-10H,15H2/b10-9+
InChIKeyDHRTUGBXYVGCKQ-MDZDMXLPSA-N
MW240.26 g/mol
LogP3.35
Rot. Bonds3

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

2-[(E)-2-(2-nitrophenyl)ethenyl]aniline (PubChem CID 11053766) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(E)-2-(2-nitrophenyl)ethenyl]aniline.

Molecular Properties

Compound Name2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
PubChem CID11053766
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
SMILESNc1ccccc1/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(17)18/h1-10H,15H2/b10-9+
InChIKeyDHRTUGBXYVGCKQ-MDZDMXLPSA-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

2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
2-nitroaniline;dihydrochloride
CID 69408891
2-nitroaniline;sulfane
CID 175331446
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
acetylene;2-nitroaniline
CID 142135116
2-nitro-3-(2-phenylethenyl)aniline
CID 67709956
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-nitrophenyl)ethenyl]aniline?
The IUPAC name of 2-[(E)-2-(2-nitrophenyl)ethenyl]aniline (CID 11053766) is 2-[(E)-2-(2-nitrophenyl)ethenyl]aniline.
What is the SMILES notation for 2-[(E)-2-(2-nitrophenyl)ethenyl]aniline?
The canonical SMILES for 2-[(E)-2-(2-nitrophenyl)ethenyl]aniline is Nc1ccccc1/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(E)-2-(2-nitrophenyl)ethenyl]aniline?
The InChIKey is DHRTUGBXYVGCKQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(17)18/h1-10H,15H2/b10-9+.
What are the key properties of 2-[(E)-2-(2-nitrophenyl)ethenyl]aniline?
2-[(E)-2-(2-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 2-[(E)-2-(2-nitrophenyl)ethenyl]aniline is sourced from PubChem (CID 11053766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).