2-methoxy-2-thiophen-2-ylacetonitrile

C7H7NOS — CID 66072350

IUPAC2-methoxy-2-thiophen-2-ylacetonitrile
SMILESCOC(C#N)c1cccs1
InChIInChI=1S/C7H7NOS/c1-9-6(5-8)7-3-2-4-10-7/h2-4,6H,1H3
InChIKeyMXGZSQXJOSNCDW-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.96
Rot. Bonds2

About 2-methoxy-2-thiophen-2-ylacetonitrile

2-methoxy-2-thiophen-2-ylacetonitrile (PubChem CID 66072350) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 2-methoxy-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name2-methoxy-2-thiophen-2-ylacetonitrile
PubChem CID66072350
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name2-methoxy-2-thiophen-2-ylacetonitrile
SMILESCOC(C#N)c1cccs1
InChIInChI=1S/C7H7NOS/c1-9-6(5-8)7-3-2-4-10-7/h2-4,6H,1H3
InChIKeyMXGZSQXJOSNCDW-UHFFFAOYSA-N
XLogP1.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-thiophen-2-ylacetonitrile?
The IUPAC name of 2-methoxy-2-thiophen-2-ylacetonitrile (CID 66072350) is 2-methoxy-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for 2-methoxy-2-thiophen-2-ylacetonitrile?
The canonical SMILES for 2-methoxy-2-thiophen-2-ylacetonitrile is COC(C#N)c1cccs1.
What is the InChIKey of 2-methoxy-2-thiophen-2-ylacetonitrile?
The InChIKey is MXGZSQXJOSNCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-9-6(5-8)7-3-2-4-10-7/h2-4,6H,1H3.
What are the key properties of 2-methoxy-2-thiophen-2-ylacetonitrile?
2-methoxy-2-thiophen-2-ylacetonitrile has a molecular weight of 153.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 66072350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).