2-(6-thiophen-2-yloxan-2-yl)acetonitrile

C11H13NOS — CID 130585687

IUPAC2-(6-thiophen-2-yloxan-2-yl)acetonitrile
SMILESN#CCC1CCCC(c2cccs2)O1
InChIInChI=1S/C11H13NOS/c12-7-6-9-3-1-4-10(13-9)11-5-2-8-14-11/h2,5,8-10H,1,3-4,6H2
InChIKeyHLTGGXLYHBZIJB-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.27
Rot. Bonds2

About 2-(6-thiophen-2-yloxan-2-yl)acetonitrile

2-(6-thiophen-2-yloxan-2-yl)acetonitrile (PubChem CID 130585687) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(6-thiophen-2-yloxan-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-thiophen-2-yloxan-2-yl)acetonitrile
PubChem CID130585687
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(6-thiophen-2-yloxan-2-yl)acetonitrile
SMILESN#CCC1CCCC(c2cccs2)O1
InChIInChI=1S/C11H13NOS/c12-7-6-9-3-1-4-10(13-9)11-5-2-8-14-11/h2,5,8-10H,1,3-4,6H2
InChIKeyHLTGGXLYHBZIJB-UHFFFAOYSA-N
XLogP3.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-oxo-5-thiophen-2-yloxolane-3-carbonitrile
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(2-thiophen-2-ylcyclopentyl)methanamine
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CID 102094708
3-thiophen-2-yl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364254
[6-(5-methylthiophen-2-yl)oxan-2-yl]methanamine
CID 130583755
2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine
CID 19930546
4-thiophen-2-yl-1,3-oxazolidine-2,5-dione
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[6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol
CID 131052682

Frequently Asked Questions

What is the IUPAC name of 2-(6-thiophen-2-yloxan-2-yl)acetonitrile?
The IUPAC name of 2-(6-thiophen-2-yloxan-2-yl)acetonitrile (CID 130585687) is 2-(6-thiophen-2-yloxan-2-yl)acetonitrile.
What is the SMILES notation for 2-(6-thiophen-2-yloxan-2-yl)acetonitrile?
The canonical SMILES for 2-(6-thiophen-2-yloxan-2-yl)acetonitrile is N#CCC1CCCC(c2cccs2)O1.
What is the InChIKey of 2-(6-thiophen-2-yloxan-2-yl)acetonitrile?
The InChIKey is HLTGGXLYHBZIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c12-7-6-9-3-1-4-10(13-9)11-5-2-8-14-11/h2,5,8-10H,1,3-4,6H2.
What are the key properties of 2-(6-thiophen-2-yloxan-2-yl)acetonitrile?
2-(6-thiophen-2-yloxan-2-yl)acetonitrile has a molecular weight of 207.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-thiophen-2-yloxan-2-yl)acetonitrile is sourced from PubChem (CID 130585687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).