(E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one

C17H17NO3 — CID 162662401

IUPAC(E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H17NO3/c19-17(8-7-16-2-1-11-21-16)14-3-5-15(6-4-14)18-9-12-20-13-10-18/h1-8,11H,9-10,12-13H2/b8-7+
InChIKeyRSSVDVQLEHFJEF-BQYQJAHWSA-N
MW283.33 g/mol
LogP3.01
Rot. Bonds4

About (E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one (PubChem CID 162662401) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
PubChem CID162662401
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H17NO3/c19-17(8-7-16-2-1-11-21-16)14-3-5-15(6-4-14)18-9-12-20-13-10-18/h1-8,11H,9-10,12-13H2/b8-7+
InChIKeyRSSVDVQLEHFJEF-BQYQJAHWSA-N
XLogP3.01
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one (CID 162662401) is (E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is O=C(/C=C/c1ccco1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is RSSVDVQLEHFJEF-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(8-7-16-2-1-11-21-16)14-3-5-15(6-4-14)18-9-12-20-13-10-18/h1-8,11H,9-10,12-13H2/b8-7+.
What are the key properties of (E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 283.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 162662401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).