2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile

C8H7NO2S — CID 11074018

IUPAC2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile
SMILESN#CCc1scc2c1OCCO2
InChIInChI=1S/C8H7NO2S/c9-2-1-7-8-6(5-12-7)10-3-4-11-8/h5H,1,3-4H2
InChIKeyZAFKPLAYMMZOEP-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.59
Rot. Bonds1

About 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile

2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile (PubChem CID 11074018) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile
PubChem CID11074018
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile
SMILESN#CCc1scc2c1OCCO2
InChIInChI=1S/C8H7NO2S/c9-2-1-7-8-6(5-12-7)10-3-4-11-8/h5H,1,3-4H2
InChIKeyZAFKPLAYMMZOEP-UHFFFAOYSA-N
XLogP1.59
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonitrile
CID 7537659
5-(Trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
Thieno[3,4-b]-1,4-dioxin, 5-hexyl-2,3-dihydro-
CID 11020600
5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716605
5-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 23553881
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
EDOT-CNV-Th
CID 100999690
Th-CNV-EDOT
CID 139119422
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethene-1,1,2-tricarbonitrile
CID 139147138
5-Ethyl-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 57709718
5-Ethenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 57809460
5-Butan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 57809474

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile?
The IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile (CID 11074018) is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile.
What is the SMILES notation for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile?
The canonical SMILES for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile is N#CCc1scc2c1OCCO2.
What is the InChIKey of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile?
The InChIKey is ZAFKPLAYMMZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c9-2-1-7-8-6(5-12-7)10-3-4-11-8/h5H,1,3-4H2.
What are the key properties of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile?
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile has a molecular weight of 181.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile is sourced from PubChem (CID 11074018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).