2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride

C11H13ClN2O — CID 171193088

IUPAC2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1[C@H]1COCCN1
InChIInChI=1S/C11H12N2O.ClH/c12-7-9-3-1-2-4-10(9)11-8-14-6-5-13-11;/h1-4,11,13H,5-6,8H2;1H/t11-;/m1./s1
InChIKeyJUNJQTVOWRMWJK-RFVHGSKJSA-N
MW224.69 g/mol
LogP1.64
Rot. Bonds1

About 2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride

2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride (PubChem CID 171193088) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride
PubChem CID171193088
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1[C@H]1COCCN1
InChIInChI=1S/C11H12N2O.ClH/c12-7-9-3-1-2-4-10(9)11-8-14-6-5-13-11;/h1-4,11,13H,5-6,8H2;1H/t11-;/m1./s1
InChIKeyJUNJQTVOWRMWJK-RFVHGSKJSA-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

Analyze 2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-3-[(3S)-morpholin-3-yl]benzonitrile
CID 131498186
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
2-morpholin-3-ylphenol
CID 55294349
3-[(3R)-morpholin-3-yl]pyridine-2-carbonitrile
CID 55275281
2-[(2S)-azetidin-2-yl]benzonitrile
CID 55278717
(3R)-3-naphthalen-1-ylmorpholine;hydrochloride
CID 171192824
(3S)-3-(2-nitrophenyl)morpholine
CID 97291213
3-(2-nitrophenyl)morpholine
CID 69296490
(3R)-3-(2,3-difluorophenyl)morpholine;hydrochloride
CID 171192608
(3R)-3-[2-(difluoromethoxy)phenyl]morpholine;hydrochloride
CID 171192805
(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride
CID 171193150
3-(2-pyrrolidin-1-ylphenyl)morpholine
CID 82619779

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride?
The IUPAC name of 2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride (CID 171193088) is 2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride.
What is the SMILES notation for 2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride?
The canonical SMILES for 2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride is Cl.N#Cc1ccccc1[C@H]1COCCN1.
What is the InChIKey of 2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride?
The InChIKey is JUNJQTVOWRMWJK-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c12-7-9-3-1-2-4-10(9)11-8-14-6-5-13-11;/h1-4,11,13H,5-6,8H2;1H/t11-;/m1./s1.
What are the key properties of 2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride?
2-[(3S)-morpholin-3-yl]benzonitrile;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-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride is sourced from PubChem (CID 171193088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).