3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one

C27H32N2O6 — CID 71962865

IUPAC3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(C2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1
InChIInChI=1S/C27H32N2O6/c1-2-15-34-22-7-3-6-20(19-22)25-24(23(30)10-9-21-8-4-16-35-21)26(31)27(32)29(25)12-5-11-28-13-17-33-18-14-28/h3-4,6-10,16,19,25,31H,2,5,11-15,17-18H2,1H3
InChIKeyFDGRPXXWSUXYME-UHFFFAOYSA-N
MW480.56 g/mol
LogP3.77
Rot. Bonds11

About 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one

3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 71962865) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID71962865
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(C2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1
InChIInChI=1S/C27H32N2O6/c1-2-15-34-22-7-3-6-20(19-22)25-24(23(30)10-9-21-8-4-16-35-21)26(31)27(32)29(25)12-5-11-28-13-17-33-18-14-28/h3-4,6-10,16,19,25,31H,2,5,11-15,17-18H2,1H3
InChIKeyFDGRPXXWSUXYME-UHFFFAOYSA-N
XLogP3.77
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one (CID 71962865) is 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1cccc(C2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1.
What is the InChIKey of 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is FDGRPXXWSUXYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-2-15-34-22-7-3-6-20(19-22)25-24(23(30)10-9-21-8-4-16-35-21)26(31)27(32)29(25)12-5-11-28-13-17-33-18-14-28/h3-4,6-10,16,19,25,31H,2,5,11-15,17-18H2,1H3.
What are the key properties of 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 480.56 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 71962865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).