4-morpholin-2-ylbenzonitrile;hydrochloride

C11H13ClN2O — CID 77198223

IUPAC4-morpholin-2-ylbenzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C11H12N2O.ClH/c12-7-9-1-3-10(4-2-9)11-8-13-5-6-14-11;/h1-4,11,13H,5-6,8H2;1H
InChIKeyFARPCGQZSPUUOZ-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.64
Rot. Bonds1

About 4-morpholin-2-ylbenzonitrile;hydrochloride

4-morpholin-2-ylbenzonitrile;hydrochloride (PubChem CID 77198223) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-morpholin-2-ylbenzonitrile;hydrochloride.

Molecular Properties

Compound Name4-morpholin-2-ylbenzonitrile;hydrochloride
PubChem CID77198223
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name4-morpholin-2-ylbenzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C11H12N2O.ClH/c12-7-9-1-3-10(4-2-9)11-8-13-5-6-14-11;/h1-4,11,13H,5-6,8H2;1H
InChIKeyFARPCGQZSPUUOZ-UHFFFAOYSA-N
XLogP1.64
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Flumexadol HCl
CID 208046
2-Methyl-2-phenylmorpholine
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4-Methylphenmetrazine
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2-Phenyl-3,6-dimethylmorpholine
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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-2-ylbenzonitrile;hydrochloride?
The IUPAC name of 4-morpholin-2-ylbenzonitrile;hydrochloride (CID 77198223) is 4-morpholin-2-ylbenzonitrile;hydrochloride.
What is the SMILES notation for 4-morpholin-2-ylbenzonitrile;hydrochloride?
The canonical SMILES for 4-morpholin-2-ylbenzonitrile;hydrochloride is Cl.N#Cc1ccc(C2CNCCO2)cc1.
What is the InChIKey of 4-morpholin-2-ylbenzonitrile;hydrochloride?
The InChIKey is FARPCGQZSPUUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c12-7-9-1-3-10(4-2-9)11-8-13-5-6-14-11;/h1-4,11,13H,5-6,8H2;1H.
What are the key properties of 4-morpholin-2-ylbenzonitrile;hydrochloride?
4-morpholin-2-ylbenzonitrile;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-2-ylbenzonitrile;hydrochloride is sourced from PubChem (CID 77198223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).