(Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile

C13H13FN2O — CID 2410071

IUPAC(Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile
SMILESN#C/C=C(/c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C13H13FN2O/c14-12-3-1-11(2-4-12)13(5-6-15)16-7-9-17-10-8-16/h1-5H,7-10H2/b13-5-
InChIKeyVWTCVFMZIMIAOK-ACAGNQJTSA-N
MW232.26 g/mol
LogP2.02
Rot. Bonds2

About (Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile

(Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile (PubChem CID 2410071) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile
PubChem CID2410071
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile
SMILESN#C/C=C(/c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C13H13FN2O/c14-12-3-1-11(2-4-12)13(5-6-15)16-7-9-17-10-8-16/h1-5H,7-10H2/b13-5-
InChIKeyVWTCVFMZIMIAOK-ACAGNQJTSA-N
XLogP2.02
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile (CID 2410071) is (Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile is N#C/C=C(/c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile?
The InChIKey is VWTCVFMZIMIAOK-ACAGNQJTSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-12-3-1-11(2-4-12)13(5-6-15)16-7-9-17-10-8-16/h1-5H,7-10H2/b13-5-.
What are the key properties of (Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile?
(Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile has a molecular weight of 232.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile is sourced from PubChem (CID 2410071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).