(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile

C18H15FN2O3 — CID 726288

IUPAC(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCOCC1
InChIInChI=1S/C18H15FN2O3/c19-15-3-1-13(2-4-15)17-6-5-16(24-17)11-14(12-20)18(22)21-7-9-23-10-8-21/h1-6,11H,7-10H2/b14-11-
InChIKeyBDHZXKFDICKTJV-KAMYIIQDSA-N
MW326.33 g/mol
LogP2.85
Rot. Bonds3

About (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile

(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile (PubChem CID 726288) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
PubChem CID726288
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCOCC1
InChIInChI=1S/C18H15FN2O3/c19-15-3-1-13(2-4-15)17-6-5-16(24-17)11-14(12-20)18(22)21-7-9-23-10-8-21/h1-6,11H,7-10H2/b14-11-
InChIKeyBDHZXKFDICKTJV-KAMYIIQDSA-N
XLogP2.85
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile (CID 726288) is (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile is N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCOCC1.
What is the InChIKey of (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The InChIKey is BDHZXKFDICKTJV-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-15-3-1-13(2-4-15)17-6-5-16(24-17)11-14(12-20)18(22)21-7-9-23-10-8-21/h1-6,11H,7-10H2/b14-11-.
What are the key properties of (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile has a molecular weight of 326.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 726288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).