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

C12H9NO2S — CID 15723624

IUPAC2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene
SMILESO=[N+]([O-])c1ccccc1/C=C/c1cccs1
InChIInChI=1S/C12H9NO2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H/b8-7+
InChIKeyVGBBUNXRMXUKOB-BQYQJAHWSA-N
MW231.28 g/mol
LogP3.83
Rot. Bonds3

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

2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene (PubChem CID 15723624) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene
PubChem CID15723624
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene
SMILESO=[N+]([O-])c1ccccc1/C=C/c1cccs1
InChIInChI=1S/C12H9NO2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H/b8-7+
InChIKeyVGBBUNXRMXUKOB-BQYQJAHWSA-N
XLogP3.83
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
(E)-3-(2-nitrophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 9022688
N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479330
(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
2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5394670
N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide
CID 3794109
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene?
The IUPAC name of 2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene (CID 15723624) is 2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene is O=[N+]([O-])c1ccccc1/C=C/c1cccs1.
What is the InChIKey of 2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene?
The InChIKey is VGBBUNXRMXUKOB-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H9NO2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H/b8-7+.
What are the key properties of 2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene?
2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene has a molecular weight of 231.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene is sourced from PubChem (CID 15723624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).