(E)-2-thiophen-2-ylpent-2-enenitrile

C9H9NS — CID 82074726

IUPAC(E)-2-thiophen-2-ylpent-2-enenitrile
SMILESCC/C=C(\C#N)c1cccs1
InChIInChI=1S/C9H9NS/c1-2-4-8(7-10)9-5-3-6-11-9/h3-6H,2H2,1H3/b8-4+
InChIKeyQYYRAMUUAQZFPV-XBXARRHUSA-N
MW163.24 g/mol
LogP3.07
Rot. Bonds2

About (E)-2-thiophen-2-ylpent-2-enenitrile

(E)-2-thiophen-2-ylpent-2-enenitrile (PubChem CID 82074726) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is (E)-2-thiophen-2-ylpent-2-enenitrile.

Molecular Properties

Compound Name(E)-2-thiophen-2-ylpent-2-enenitrile
PubChem CID82074726
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC Name(E)-2-thiophen-2-ylpent-2-enenitrile
SMILESCC/C=C(\C#N)c1cccs1
InChIInChI=1S/C9H9NS/c1-2-4-8(7-10)9-5-3-6-11-9/h3-6H,2H2,1H3/b8-4+
InChIKeyQYYRAMUUAQZFPV-XBXARRHUSA-N
XLogP3.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-4-sulfanyl-2-thiophen-2-ylhepta-2,4-dienenitrile
CID 163678098
(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile
CID 98114034
(E)-2-(5-bromothiophen-2-yl)pent-2-enenitrile
CID 82084837
2-[(Z)-1-chlorobut-1-enyl]thiophene
CID 102087090
3-thiophen-2-ylpent-2-enenitrile
CID 76913769
2-[(E)-1-bromopent-2-en-2-yl]thiophene
CID 126676876
3-(4-bromophenyl)-2-thiophen-2-ylprop-2-enenitrile
CID 90809747
3-methyl-2-thiophen-2-ylbut-2-enenitrile
CID 82074725
(E)-3-(3,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
CID 5378071
3,3-bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile
CID 2781085
4-[[(Z)-2-cyano-2-thiophen-2-ylethenyl]amino]benzoic acid
CID 2766405
(2E,5E)-6,8-dithiophen-2-ylocta-2,5-dien-7-yn-1-ol
CID 164682428

Frequently Asked Questions

What is the IUPAC name of (E)-2-thiophen-2-ylpent-2-enenitrile?
The IUPAC name of (E)-2-thiophen-2-ylpent-2-enenitrile (CID 82074726) is (E)-2-thiophen-2-ylpent-2-enenitrile.
What is the SMILES notation for (E)-2-thiophen-2-ylpent-2-enenitrile?
The canonical SMILES for (E)-2-thiophen-2-ylpent-2-enenitrile is CC/C=C(\C#N)c1cccs1.
What is the InChIKey of (E)-2-thiophen-2-ylpent-2-enenitrile?
The InChIKey is QYYRAMUUAQZFPV-XBXARRHUSA-N. The full InChI is InChI=1S/C9H9NS/c1-2-4-8(7-10)9-5-3-6-11-9/h3-6H,2H2,1H3/b8-4+.
What are the key properties of (E)-2-thiophen-2-ylpent-2-enenitrile?
(E)-2-thiophen-2-ylpent-2-enenitrile has a molecular weight of 163.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-thiophen-2-ylpent-2-enenitrile is sourced from PubChem (CID 82074726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).