2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile

C17H15FN2O2 — CID 2976033

IUPAC2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(N2CCOCC2)o1)c1cccc(F)c1
InChIInChI=1S/C17H15FN2O2/c18-15-3-1-2-13(10-15)14(12-19)11-16-4-5-17(22-16)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2
InChIKeyIBAAUWYBQXJOPG-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.32
Rot. Bonds3

About 2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile

2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile (PubChem CID 2976033) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
PubChem CID2976033
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(N2CCOCC2)o1)c1cccc(F)c1
InChIInChI=1S/C17H15FN2O2/c18-15-3-1-2-13(10-15)14(12-19)11-16-4-5-17(22-16)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2
InChIKeyIBAAUWYBQXJOPG-UHFFFAOYSA-N
XLogP3.32
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The IUPAC name of 2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile (CID 2976033) is 2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The canonical SMILES for 2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is N#CC(=Cc1ccc(N2CCOCC2)o1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The InChIKey is IBAAUWYBQXJOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-15-3-1-2-13(10-15)14(12-19)11-16-4-5-17(22-16)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2.
What are the key properties of 2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile has a molecular weight of 298.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 2976033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).