(3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one

C15H15NO3 — CID 2207819

IUPAC(3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C\N1CCOCC1
InChIInChI=1S/C15H15NO3/c17-15-13(11-16-6-8-18-9-7-16)10-14(19-15)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2/b13-11+
InChIKeyZHGHLOXRNXBYCM-ACCUITESSA-N
MW257.29 g/mol
LogP1.80
Rot. Bonds2

About (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one

(3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one (PubChem CID 2207819) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one
PubChem CID2207819
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C\N1CCOCC1
InChIInChI=1S/C15H15NO3/c17-15-13(11-16-6-8-18-9-7-16)10-14(19-15)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2/b13-11+
InChIKeyZHGHLOXRNXBYCM-ACCUITESSA-N
XLogP1.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one?
The IUPAC name of (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one (CID 2207819) is (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one.
What is the SMILES notation for (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one?
The canonical SMILES for (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one is O=C1OC(c2ccccc2)=C/C1=C\N1CCOCC1.
What is the InChIKey of (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one?
The InChIKey is ZHGHLOXRNXBYCM-ACCUITESSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15-13(11-16-6-8-18-9-7-16)10-14(19-15)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2/b13-11+.
What are the key properties of (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one?
(3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-one is sourced from PubChem (CID 2207819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).