5-deuterio-2-morpholin-4-ylbenzonitrile

C11H12N2O — CID 164675925

IUPAC5-deuterio-2-morpholin-4-ylbenzonitrile
SMILES[2H]c1ccc(N2CCOCC2)c(C#N)c1
InChIInChI=1S/C11H12N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h1-4H,5-8H2/i1D
InChIKeyKSUYFCSSOHFITQ-MICDWDOJSA-N
MW189.24 g/mol
LogP1.39
Rot. Bonds1

About 5-deuterio-2-morpholin-4-ylbenzonitrile

5-deuterio-2-morpholin-4-ylbenzonitrile (PubChem CID 164675925) has the molecular formula C11H12N2O and a molecular weight of 189.24 g/mol. Its IUPAC name is 5-deuterio-2-morpholin-4-ylbenzonitrile.

Molecular Properties

Compound Name5-deuterio-2-morpholin-4-ylbenzonitrile
PubChem CID164675925
Molecular FormulaC11H12N2O
Molecular Weight189.24 g/mol
Exact Mass189.10
IUPAC Name5-deuterio-2-morpholin-4-ylbenzonitrile
SMILES[2H]c1ccc(N2CCOCC2)c(C#N)c1
InChIInChI=1S/C11H12N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h1-4H,5-8H2/i1D
InChIKeyKSUYFCSSOHFITQ-MICDWDOJSA-N
XLogP1.39
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-morpholin-4-ylbenzonitrile?
The IUPAC name of 5-deuterio-2-morpholin-4-ylbenzonitrile (CID 164675925) is 5-deuterio-2-morpholin-4-ylbenzonitrile.
What is the SMILES notation for 5-deuterio-2-morpholin-4-ylbenzonitrile?
The canonical SMILES for 5-deuterio-2-morpholin-4-ylbenzonitrile is [2H]c1ccc(N2CCOCC2)c(C#N)c1.
What is the InChIKey of 5-deuterio-2-morpholin-4-ylbenzonitrile?
The InChIKey is KSUYFCSSOHFITQ-MICDWDOJSA-N. The full InChI is InChI=1S/C11H12N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h1-4H,5-8H2/i1D.
What are the key properties of 5-deuterio-2-morpholin-4-ylbenzonitrile?
5-deuterio-2-morpholin-4-ylbenzonitrile has a molecular weight of 189.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-morpholin-4-ylbenzonitrile is sourced from PubChem (CID 164675925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).