2-nitro-3-(2-phenylethenyl)aniline

C14H12N2O2 — CID 67709956

IUPAC2-nitro-3-(2-phenylethenyl)aniline
SMILESNc1cccc(C=Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O2/c15-13-8-4-7-12(14(13)16(17)18)10-9-11-5-2-1-3-6-11/h1-10H,15H2
InChIKeyLKZPHJNKIKZCMQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.35
Rot. Bonds3

About 2-nitro-3-(2-phenylethenyl)aniline

2-nitro-3-(2-phenylethenyl)aniline (PubChem CID 67709956) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-nitro-3-(2-phenylethenyl)aniline.

Molecular Properties

Compound Name2-nitro-3-(2-phenylethenyl)aniline
PubChem CID67709956
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-nitro-3-(2-phenylethenyl)aniline
SMILESNc1cccc(C=Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O2/c15-13-8-4-7-12(14(13)16(17)18)10-9-11-5-2-1-3-6-11/h1-10H,15H2
InChIKeyLKZPHJNKIKZCMQ-UHFFFAOYSA-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

3-(3-aminoprop-1-enyl)-2-nitroaniline
CID 169463868
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015
4-(3-amino-2-nitrophenyl)but-3-enamide
CID 170798265
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
2-nitro-6-(2-phenylethenyl)phenol
CID 57159436
2-methoxy-1-methyl-3-nitro-4-(2-phenylethenyl)benzene
CID 139827300
N-[3-(3-amino-2-nitrophenyl)prop-2-enyl]acetamide
CID 169465811
6-nitro-5-(2-phenylethenyl)pyridin-3-amine
CID 57101132
2-nitro-3-(2-phenylethynyl)aniline
CID 67280396
1-methyl-4-nitro-2-(2-phenylethenyl)benzene
CID 816813

Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-(2-phenylethenyl)aniline?
The IUPAC name of 2-nitro-3-(2-phenylethenyl)aniline (CID 67709956) is 2-nitro-3-(2-phenylethenyl)aniline.
What is the SMILES notation for 2-nitro-3-(2-phenylethenyl)aniline?
The canonical SMILES for 2-nitro-3-(2-phenylethenyl)aniline is Nc1cccc(C=Cc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 2-nitro-3-(2-phenylethenyl)aniline?
The InChIKey is LKZPHJNKIKZCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-13-8-4-7-12(14(13)16(17)18)10-9-11-5-2-1-3-6-11/h1-10H,15H2.
What are the key properties of 2-nitro-3-(2-phenylethenyl)aniline?
2-nitro-3-(2-phenylethenyl)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-nitro-3-(2-phenylethenyl)aniline is sourced from PubChem (CID 67709956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).