2-morpholin-4-ylbenzonitrile

C11H12N2O — CID 2737012

IUPAC2-morpholin-4-ylbenzonitrile
SMILESN#Cc1ccccc1N1CCOCC1
InChIInChI=1S/C11H12N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKeyKSUYFCSSOHFITQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.39
Rot. Bonds1

About 2-morpholin-4-ylbenzonitrile

2-morpholin-4-ylbenzonitrile (PubChem CID 2737012) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-morpholin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-morpholin-4-ylbenzonitrile
PubChem CID2737012
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-morpholin-4-ylbenzonitrile
SMILESN#Cc1ccccc1N1CCOCC1
InChIInChI=1S/C11H12N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKeyKSUYFCSSOHFITQ-UHFFFAOYSA-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 ≤ 500188.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-deuterio-2-morpholin-4-ylbenzonitrile
CID 164675925
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190
2-(2,5-dihydropyrrol-1-yl)benzonitrile
CID 55265767
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzonitrile
CID 60968039
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104
ethane;2-piperazin-1-ylbenzonitrile
CID 91561805
2-(2-ethylmorpholin-4-yl)benzonitrile
CID 43429873
4-amino-1-(2-cyanophenyl)piperidine-4-carbonitrile
CID 117013110
2-(4-hydroxy-4-methylpiperidin-1-yl)benzonitrile
CID 81115628
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylbenzonitrile?
The IUPAC name of 2-morpholin-4-ylbenzonitrile (CID 2737012) is 2-morpholin-4-ylbenzonitrile.
What is the SMILES notation for 2-morpholin-4-ylbenzonitrile?
The canonical SMILES for 2-morpholin-4-ylbenzonitrile is N#Cc1ccccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylbenzonitrile?
The InChIKey is KSUYFCSSOHFITQ-UHFFFAOYSA-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.
What are the key properties of 2-morpholin-4-ylbenzonitrile?
2-morpholin-4-ylbenzonitrile has a molecular weight of 188.23 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 2-morpholin-4-ylbenzonitrile is sourced from PubChem (CID 2737012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).