(E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile

C19H17FN2O — CID 2219143

IUPAC(E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(N2CCOCC2)cc1)c1ccccc1F
InChIInChI=1S/C19H17FN2O/c20-19-4-2-1-3-18(19)16(14-21)13-15-5-7-17(8-6-15)22-9-11-23-12-10-22/h1-8,13H,9-12H2/b16-13-
InChIKeyBDLYABGELGCNIU-SSZFMOIBSA-N
MW308.36 g/mol
LogP3.73
Rot. Bonds3

About (E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile

(E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile (PubChem CID 2219143) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is (E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile
PubChem CID2219143
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name(E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(N2CCOCC2)cc1)c1ccccc1F
InChIInChI=1S/C19H17FN2O/c20-19-4-2-1-3-18(19)16(14-21)13-15-5-7-17(8-6-15)22-9-11-23-12-10-22/h1-8,13H,9-12H2/b16-13-
InChIKeyBDLYABGELGCNIU-SSZFMOIBSA-N
XLogP3.73
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile?
The IUPAC name of (E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile (CID 2219143) is (E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile is N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1ccccc1F.
What is the InChIKey of (E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile?
The InChIKey is BDLYABGELGCNIU-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-19-4-2-1-3-18(19)16(14-21)13-15-5-7-17(8-6-15)22-9-11-23-12-10-22/h1-8,13H,9-12H2/b16-13-.
What are the key properties of (E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile?
(E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile has a molecular weight of 308.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile is sourced from PubChem (CID 2219143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).