2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene

C11H9NO2S2 — CID 76912952

IUPAC2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene
SMILESCC(=Cc1cc(-c2cccs2)cs1)[N+](=O)[O-]
InChIInChI=1S/C11H9NO2S2/c1-8(12(13)14)5-10-6-9(7-16-10)11-3-2-4-15-11/h2-7H,1H3
InChIKeyBEYKFWOOQNJXJU-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.11
Rot. Bonds3

About 2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene

2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene (PubChem CID 76912952) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene
PubChem CID76912952
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene
SMILESCC(=Cc1cc(-c2cccs2)cs1)[N+](=O)[O-]
InChIInChI=1S/C11H9NO2S2/c1-8(12(13)14)5-10-6-9(7-16-10)11-3-2-4-15-11/h2-7H,1H3
InChIKeyBEYKFWOOQNJXJU-UHFFFAOYSA-N
XLogP4.11
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-thiophen-2-ylthiophen-2-yl)but-3-en-2-one
CID 77024205
2-[(E)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene
CID 146324393
4-thiophen-2-ylthiophen-2-ol
CID 154302711
N-(2-nitro-4-thiophen-2-ylphenyl)acetamide
CID 110477271
2-(4-nitrophenyl)thiophene
CID 609512
2-nitroprop-1-enylbenzene
CID 12807
2-(3-nitro-4-thiophen-2-ylphenyl)thiophene
CID 22765600
N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690073
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690068
2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran
CID 71427186
piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 71690080

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene?
The IUPAC name of 2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene (CID 76912952) is 2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene.
What is the SMILES notation for 2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene?
The canonical SMILES for 2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene is CC(=Cc1cc(-c2cccs2)cs1)[N+](=O)[O-].
What is the InChIKey of 2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene?
The InChIKey is BEYKFWOOQNJXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-8(12(13)14)5-10-6-9(7-16-10)11-3-2-4-15-11/h2-7H,1H3.
What are the key properties of 2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene?
2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene has a molecular weight of 251.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene is sourced from PubChem (CID 76912952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).