2-morpholin-2-ylbenzonitrile;hydrochloride

C11H13ClN2O — CID 77492763

IUPAC2-morpholin-2-ylbenzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1C1CNCCO1
InChIInChI=1S/C11H12N2O.ClH/c12-7-9-3-1-2-4-10(9)11-8-13-5-6-14-11;/h1-4,11,13H,5-6,8H2;1H
InChIKeyQBULYBZAGORHKN-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.64
Rot. Bonds1

About 2-morpholin-2-ylbenzonitrile;hydrochloride

2-morpholin-2-ylbenzonitrile;hydrochloride (PubChem CID 77492763) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-morpholin-2-ylbenzonitrile;hydrochloride.

Molecular Properties

Compound Name2-morpholin-2-ylbenzonitrile;hydrochloride
PubChem CID77492763
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-morpholin-2-ylbenzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1C1CNCCO1
InChIInChI=1S/C11H12N2O.ClH/c12-7-9-3-1-2-4-10(9)11-8-13-5-6-14-11;/h1-4,11,13H,5-6,8H2;1H
InChIKeyQBULYBZAGORHKN-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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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-ylbenzonitrile;hydrochloride?
The IUPAC name of 2-morpholin-2-ylbenzonitrile;hydrochloride (CID 77492763) is 2-morpholin-2-ylbenzonitrile;hydrochloride.
What is the SMILES notation for 2-morpholin-2-ylbenzonitrile;hydrochloride?
The canonical SMILES for 2-morpholin-2-ylbenzonitrile;hydrochloride is Cl.N#Cc1ccccc1C1CNCCO1.
What is the InChIKey of 2-morpholin-2-ylbenzonitrile;hydrochloride?
The InChIKey is QBULYBZAGORHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c12-7-9-3-1-2-4-10(9)11-8-13-5-6-14-11;/h1-4,11,13H,5-6,8H2;1H.
What are the key properties of 2-morpholin-2-ylbenzonitrile;hydrochloride?
2-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 2-morpholin-2-ylbenzonitrile;hydrochloride is sourced from PubChem (CID 77492763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).