2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile

C12H13ClN2O — CID 591795

IUPAC2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H13ClN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-8H2
InChIKeyYBUDMLBUDBGODD-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.24
Rot. Bonds2

About 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile

2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 591795) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
PubChem CID591795
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H13ClN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-8H2
InChIKeyYBUDMLBUDBGODD-UHFFFAOYSA-N
XLogP2.24
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
CID 67533209
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile
CID 90219831
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetonitrile
CID 1478936
2-[4-(4-chlorophenyl)sulfinylphenyl]-2-(4-methylpiperidin-1-yl)acetonitrile
CID 134108745
5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65340879
2-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetonitrile
CID 110350218
2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
CID 45261443
2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110350143
2-(4-chlorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110350201

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile (CID 591795) is 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile is N#CC(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is YBUDMLBUDBGODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-8H2.
What are the key properties of 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile?
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 236.70 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 591795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).