(Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile

C19H18N2O — CID 892247

IUPAC(Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C19H18N2O/c20-15-18(17-4-2-1-3-5-17)14-16-6-8-19(9-7-16)21-10-12-22-13-11-21/h1-9,14H,10-13H2/b18-14+
InChIKeyLSMYRSSSEFHZLX-NBVRZTHBSA-N
MW290.37 g/mol
LogP3.59
Rot. Bonds3

About (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile

(Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile (PubChem CID 892247) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
PubChem CID892247
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C19H18N2O/c20-15-18(17-4-2-1-3-5-17)14-16-6-8-19(9-7-16)21-10-12-22-13-11-21/h1-9,14H,10-13H2/b18-14+
InChIKeyLSMYRSSSEFHZLX-NBVRZTHBSA-N
XLogP3.59
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile 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

4-(Morpholinomethyl)aniline
CID 776851
3-(4-(Dimethylamino)phenyl)-2-phenylacrylonitrile
CID 5377203
4-Morpholinobenzonitrile
CID 394808
(4-Morpholin-4-ylbenzylidene)malononitrile
CID 321779
N1,N1-Dimethyl-N4-(4-morpholinobenzylidene)-1,4-benzenediamine
CID 628093
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
Propanedinitrile, 2-[[4-[ethyl(phenylmethyl)amino]phenyl]methylene]-
CID 17545865
4-[4-(1-Piperidinylcarbonothioyl)phenyl]morpholine
CID 951939
2-Fluoro-6-morpholinobenzonitrile
CID 654627
4-[2-[4-(4-Pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethyl]morpholine
CID 76325789
4-(2-Benzylisoindolin-5-yl)morpholine
CID 132060733

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile (CID 892247) is (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile is N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile?
The InChIKey is LSMYRSSSEFHZLX-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H18N2O/c20-15-18(17-4-2-1-3-5-17)14-16-6-8-19(9-7-16)21-10-12-22-13-11-21/h1-9,14H,10-13H2/b18-14+.
What are the key properties of (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile?
(Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile has a molecular weight of 290.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile is sourced from PubChem (CID 892247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).