2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride

C10H13ClN2OS — CID 45264771

IUPAC2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride
SMILESCl.N#CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C10H12N2OS.ClH/c11-8-9(10-2-1-7-14-10)12-3-5-13-6-4-12;/h1-2,7,9H,3-6H2;1H
InChIKeySHZDFHSREXJVFN-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.07
Rot. Bonds2

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

2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride (PubChem CID 45264771) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride
PubChem CID45264771
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride
SMILESCl.N#CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C10H12N2OS.ClH/c11-8-9(10-2-1-7-14-10)12-3-5-13-6-4-12;/h1-2,7,9H,3-6H2;1H
InChIKeySHZDFHSREXJVFN-UHFFFAOYSA-N
XLogP2.07
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.07
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;hydrochloride?
The IUPAC name of 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride (CID 45264771) is 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride?
The canonical SMILES for 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride is Cl.N#CC(c1cccs1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride?
The InChIKey is SHZDFHSREXJVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS.ClH/c11-8-9(10-2-1-7-14-10)12-3-5-13-6-4-12;/h1-2,7,9H,3-6H2;1H.
What are the key properties of 2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride?
2-morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride has a molecular weight of 244.75 g/mol, XLogP of 2.07, 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;hydrochloride is sourced from PubChem (CID 45264771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).