(E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one

C19H20FNO3 — CID 39946381

IUPAC(E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one
SMILESC[C@@H]1CN(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)C[C@H](C)O1
InChIInChI=1S/C19H20FNO3/c1-13-11-21(12-14(2)23-13)19(22)10-8-15-7-9-18(24-15)16-5-3-4-6-17(16)20/h3-10,13-14H,11-12H2,1-2H3/b10-8+/t13-,14+
InChIKeyGFXGWAUTHAIJTP-ALYKVUFCSA-N
MW329.37 g/mol
LogP3.73
Rot. Bonds3

About (E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one

(E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one (PubChem CID 39946381) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one
PubChem CID39946381
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one
SMILESC[C@@H]1CN(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)C[C@H](C)O1
InChIInChI=1S/C19H20FNO3/c1-13-11-21(12-14(2)23-13)19(22)10-8-15-7-9-18(24-15)16-5-3-4-6-17(16)20/h3-10,13-14H,11-12H2,1-2H3/b10-8+/t13-,14+
InChIKeyGFXGWAUTHAIJTP-ALYKVUFCSA-N
XLogP3.73
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one (CID 39946381) is (E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one is C[C@@H]1CN(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)C[C@H](C)O1.
What is the InChIKey of (E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one?
The InChIKey is GFXGWAUTHAIJTP-ALYKVUFCSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13-11-21(12-14(2)23-13)19(22)10-8-15-7-9-18(24-15)16-5-3-4-6-17(16)20/h3-10,13-14H,11-12H2,1-2H3/b10-8+/t13-,14+.
What are the key properties of (E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one?
(E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one has a molecular weight of 329.37 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)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 39946381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).