4-thiophen-2-ylbut-3-enenitrile

C8H7NS — CID 170799049

IUPAC4-thiophen-2-ylbut-3-enenitrile
SMILESN#CCC=Cc1cccs1
InChIInChI=1S/C8H7NS/c9-6-2-1-4-8-5-3-7-10-8/h1,3-5,7H,2H2
InChIKeyABIUTZIQFNPAQW-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.67
Rot. Bonds2

About 4-thiophen-2-ylbut-3-enenitrile

4-thiophen-2-ylbut-3-enenitrile (PubChem CID 170799049) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 4-thiophen-2-ylbut-3-enenitrile.

Molecular Properties

Compound Name4-thiophen-2-ylbut-3-enenitrile
PubChem CID170799049
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name4-thiophen-2-ylbut-3-enenitrile
SMILESN#CCC=Cc1cccs1
InChIInChI=1S/C8H7NS/c9-6-2-1-4-8-5-3-7-10-8/h1,3-5,7H,2H2
InChIKeyABIUTZIQFNPAQW-UHFFFAOYSA-N
XLogP2.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorobut-1-enyl)thiophene
CID 79002392
2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
CID 15579968
2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
CID 156698517
(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261
(E)-2-thiophen-2-ylethenol
CID 89297537
4-(2-chlorothiophen-3-yl)but-3-enenitrile
CID 170799063
2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile
CID 54433898
4-[(E)-2-oxo-5-thiophen-2-ylpent-4-enyl]benzonitrile
CID 147542409
(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine
CID 20603575
5-thiophen-2-ylpenta-2,4-dien-1-ol
CID 54372046
(E)-N,N-bis(2-cyanoethyl)-3-thiophen-2-ylprop-2-enamide
CID 47109319
S-[(E)-3-thiophen-2-ylprop-2-enyl] ethanethioate
CID 71663485

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbut-3-enenitrile?
The IUPAC name of 4-thiophen-2-ylbut-3-enenitrile (CID 170799049) is 4-thiophen-2-ylbut-3-enenitrile.
What is the SMILES notation for 4-thiophen-2-ylbut-3-enenitrile?
The canonical SMILES for 4-thiophen-2-ylbut-3-enenitrile is N#CCC=Cc1cccs1.
What is the InChIKey of 4-thiophen-2-ylbut-3-enenitrile?
The InChIKey is ABIUTZIQFNPAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c9-6-2-1-4-8-5-3-7-10-8/h1,3-5,7H,2H2.
What are the key properties of 4-thiophen-2-ylbut-3-enenitrile?
4-thiophen-2-ylbut-3-enenitrile has a molecular weight of 149.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbut-3-enenitrile is sourced from PubChem (CID 170799049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).