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

C19H18N2O — CID 892246

IUPAC3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
SMILESN#CC(=Cc1ccc(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
InChIKeyLSMYRSSSEFHZLX-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.59
Rot. Bonds3

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

3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile (PubChem CID 892246) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
PubChem CID892246
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
SMILESN#CC(=Cc1ccc(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
InChIKeyLSMYRSSSEFHZLX-UHFFFAOYSA-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'}

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Related Compounds

(E)-2-phenyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 21234790
(Z)-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-3-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]prop-2-enenitrile
CID 139049181
(Z)-3-[4-[(E)-2-cyano-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethenyl]phenyl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile
CID 99708009
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 3651506
2-(3-bromophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 2915679
(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 2238856
(Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 977304
3-(4-methoxyphenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile
CID 5052223
(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
(Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 2121496
(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile
CID 57342537

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile?
The IUPAC name of 3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile (CID 892246) is 3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile.
What is the SMILES notation for 3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile?
The canonical SMILES for 3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile is N#CC(=Cc1ccc(N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile?
The InChIKey is LSMYRSSSEFHZLX-UHFFFAOYSA-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.
What are the key properties of 3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile?
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 3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile is sourced from PubChem (CID 892246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).