2-thiophen-2-ylpropanenitrile

C7H7NS — CID 10942499

IUPAC2-thiophen-2-ylpropanenitrile
SMILESCC(C#N)c1cccs1
InChIInChI=1S/C7H7NS/c1-6(5-8)7-3-2-4-9-7/h2-4,6H,1H3
InChIKeyQTOABKRIUPTTPQ-UHFFFAOYSA-N
MW137.21 g/mol
LogP2.38
Rot. Bonds1

About 2-thiophen-2-ylpropanenitrile

2-thiophen-2-ylpropanenitrile (PubChem CID 10942499) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 2-thiophen-2-ylpropanenitrile.

Molecular Properties

Compound Name2-thiophen-2-ylpropanenitrile
PubChem CID10942499
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name2-thiophen-2-ylpropanenitrile
SMILESCC(C#N)c1cccs1
InChIInChI=1S/C7H7NS/c1-6(5-8)7-3-2-4-9-7/h2-4,6H,1H3
InChIKeyQTOABKRIUPTTPQ-UHFFFAOYSA-N
XLogP2.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 72880
2-Thiophenecarbonitrile
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3-(2-Thienyl)acrylonitrile
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Thiophene, 2-(1-methylethyl)-
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5-Methylthiophene-2-carbonitrile
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2-(1-Thiophen-2-YL-ethylidene)-malononitrile
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3-Methylthiophene-2-carbonitrile
CID 521617
2-(2-Methylpropyl)thiophene
CID 566432
Thiophene-2,5-dicarbonitrile
CID 140436
4-Hexylthiophene-2-carbonitrile
CID 58420906
2,3-Thiophenedicarbonitrile
CID 288492

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylpropanenitrile?
The IUPAC name of 2-thiophen-2-ylpropanenitrile (CID 10942499) is 2-thiophen-2-ylpropanenitrile.
What is the SMILES notation for 2-thiophen-2-ylpropanenitrile?
The canonical SMILES for 2-thiophen-2-ylpropanenitrile is CC(C#N)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylpropanenitrile?
The InChIKey is QTOABKRIUPTTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-6(5-8)7-3-2-4-9-7/h2-4,6H,1H3.
What are the key properties of 2-thiophen-2-ylpropanenitrile?
2-thiophen-2-ylpropanenitrile has a molecular weight of 137.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylpropanenitrile is sourced from PubChem (CID 10942499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).