3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline

C14H12N2O2 — CID 92527304

IUPAC3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
SMILESNc1cccc(/C=C\c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H12N2O2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)16(17)18/h1-10H,15H2/b8-7-
InChIKeyFFBUZZYRZRFBFQ-FPLPWBNLSA-N
MW240.26 g/mol
LogP3.35
Rot. Bonds3

About 3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline

3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline (PubChem CID 92527304) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline.

Molecular Properties

Compound Name3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
PubChem CID92527304
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
SMILESNc1cccc(/C=C\c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H12N2O2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)16(17)18/h1-10H,15H2/b8-7-
InChIKeyFFBUZZYRZRFBFQ-FPLPWBNLSA-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

1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
cyclopropane;3-nitroaniline
CID 175468087
(E)-3-(3-nitrophenyl)prop-2-en-1-amine
CID 19966844
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
dichlorotin;methane;methyl (E)-3-(3-aminophenyl)prop-2-enoate;methyl (E)-3-(3-nitrophenyl)prop-2-enoate
CID 159181390
3-(3-nitrophenyl)prop-2-enamide
CID 692292
1-iodo-3-nitrobenzene;methyl (E)-3-(3-aminophenyl)prop-2-enoate;methyl (E)-3-(3-nitrophenyl)prop-2-enoate
CID 158062947
3-(3-nitrophenyl)prop-2-en-1-ol
CID 53401716
CID 175409039
CID 175409039
1,3-dinitrobenzene;3-methylaniline
CID 158923372
(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 115342730
N,N'-bis[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]methanediamine
CID 102327818

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline?
The IUPAC name of 3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline (CID 92527304) is 3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline.
What is the SMILES notation for 3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline?
The canonical SMILES for 3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline is Nc1cccc(/C=C\c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline?
The InChIKey is FFBUZZYRZRFBFQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)16(17)18/h1-10H,15H2/b8-7-.
What are the key properties of 3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline?
3-[(Z)-2-(3-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 3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline is sourced from PubChem (CID 92527304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).