4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one

C21H19NO4 — CID 70977338

IUPAC4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one
SMILESO=C1OC(c2ccccc2)C(c2ccccc2)=C1C(=O)N1CCOCC1
InChIInChI=1S/C21H19NO4/c23-20(22-11-13-25-14-12-22)18-17(15-7-3-1-4-8-15)19(26-21(18)24)16-9-5-2-6-10-16/h1-10,19H,11-14H2
InChIKeyZGTAQLOOZNUTJJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.60
Rot. Bonds3

About 4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one

4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one (PubChem CID 70977338) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one
PubChem CID70977338
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one
SMILESO=C1OC(c2ccccc2)C(c2ccccc2)=C1C(=O)N1CCOCC1
InChIInChI=1S/C21H19NO4/c23-20(22-11-13-25-14-12-22)18-17(15-7-3-1-4-8-15)19(26-21(18)24)16-9-5-2-6-10-16/h1-10,19H,11-14H2
InChIKeyZGTAQLOOZNUTJJ-UHFFFAOYSA-N
XLogP2.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one?
The IUPAC name of 4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one (CID 70977338) is 4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one?
The canonical SMILES for 4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one is O=C1OC(c2ccccc2)C(c2ccccc2)=C1C(=O)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one?
The InChIKey is ZGTAQLOOZNUTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-20(22-11-13-25-14-12-22)18-17(15-7-3-1-4-8-15)19(26-21(18)24)16-9-5-2-6-10-16/h1-10,19H,11-14H2.
What are the key properties of 4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one?
4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one has a molecular weight of 349.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one is sourced from PubChem (CID 70977338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).