2-morpholin-4-yl-2-thiophen-2-ylacetonitrile

C10H12N2OS — CID 2797894

IUPAC2-morpholin-4-yl-2-thiophen-2-ylacetonitrile
SMILESN#CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C10H12N2OS/c11-8-9(10-2-1-7-14-10)12-3-5-13-6-4-12/h1-2,7,9H,3-6H2
InChIKeyVCKYGIVKIJXEGX-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.64
Rot. Bonds2

About 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile

2-morpholin-4-yl-2-thiophen-2-ylacetonitrile (PubChem CID 2797894) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-2-thiophen-2-ylacetonitrile
PubChem CID2797894
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-morpholin-4-yl-2-thiophen-2-ylacetonitrile
SMILESN#CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C10H12N2OS/c11-8-9(10-2-1-7-14-10)12-3-5-13-6-4-12/h1-2,7,9H,3-6H2
InChIKeyVCKYGIVKIJXEGX-UHFFFAOYSA-N
XLogP1.64
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile?
The IUPAC name of 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile (CID 2797894) is 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile?
The canonical SMILES for 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile is N#CC(c1cccs1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile?
The InChIKey is VCKYGIVKIJXEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-8-9(10-2-1-7-14-10)12-3-5-13-6-4-12/h1-2,7,9H,3-6H2.
What are the key properties of 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile?
2-morpholin-4-yl-2-thiophen-2-ylacetonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 2797894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).