4-(2-nitro-2-phenylethenyl)aniline

C14H12N2O2 — CID 54368133

IUPAC4-(2-nitro-2-phenylethenyl)aniline
SMILESNc1ccc(C=C(c2ccccc2)[N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O2/c15-13-8-6-11(7-9-13)10-14(16(17)18)12-4-2-1-3-5-12/h1-10H,15H2
InChIKeyURFISKUAZGICPM-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.04
Rot. Bonds3

About 4-(2-nitro-2-phenylethenyl)aniline

4-(2-nitro-2-phenylethenyl)aniline (PubChem CID 54368133) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2-nitro-2-phenylethenyl)aniline.

Molecular Properties

Compound Name4-(2-nitro-2-phenylethenyl)aniline
PubChem CID54368133
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-(2-nitro-2-phenylethenyl)aniline
SMILESNc1ccc(C=C(c2ccccc2)[N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O2/c15-13-8-6-11(7-9-13)10-14(16(17)18)12-4-2-1-3-5-12/h1-10H,15H2
InChIKeyURFISKUAZGICPM-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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

[(Z)-2-nitro-2-phenylethenyl]benzene
CID 2818500
1-tert-butyl-4-(2-nitro-2-phenylethenyl)benzene
CID 76996214
4-(2-nitro-2-phenylethenyl)benzene-1,2-diol
CID 76948542
1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene
CID 76948521
2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine
CID 104823179
1-chloro-2-nitro-4-(2-nitro-2-phenylethenyl)benzene
CID 76948503
1,2-bis(1-nitro-2-phenylethenyl)benzene
CID 154163750
2-chloro-1-methoxy-4-(2-nitro-2-phenylethenyl)benzene
CID 77052850
3-nitro-3-phenylprop-2-enoic acid
CID 54438335
(Z)-4-nitro-4-phenylbut-3-en-2-one
CID 6439839
4-methylaniline;(E)-2-(4-methylphenyl)-1-phenylethenesulfonic acid
CID 90486972
1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene
CID 79971024

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitro-2-phenylethenyl)aniline?
The IUPAC name of 4-(2-nitro-2-phenylethenyl)aniline (CID 54368133) is 4-(2-nitro-2-phenylethenyl)aniline.
What is the SMILES notation for 4-(2-nitro-2-phenylethenyl)aniline?
The canonical SMILES for 4-(2-nitro-2-phenylethenyl)aniline is Nc1ccc(C=C(c2ccccc2)[N+](=O)[O-])cc1.
What is the InChIKey of 4-(2-nitro-2-phenylethenyl)aniline?
The InChIKey is URFISKUAZGICPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-13-8-6-11(7-9-13)10-14(16(17)18)12-4-2-1-3-5-12/h1-10H,15H2.
What are the key properties of 4-(2-nitro-2-phenylethenyl)aniline?
4-(2-nitro-2-phenylethenyl)aniline has a molecular weight of 240.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitro-2-phenylethenyl)aniline is sourced from PubChem (CID 54368133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).