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

C24H26N2O5 — CID 18829093

IUPAC2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
SMILESO=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccco1
InChIInChI=1S/C24H26N2O5/c27-19(10-9-18-6-2-1-3-7-18)21-22(20-8-4-15-31-20)26(24(29)23(21)28)12-5-11-25-13-16-30-17-14-25/h1-4,6-10,15,22,28H,5,11-14,16-17H2/b10-9+
InChIKeyLUVAGYLUURNYER-MDZDMXLPSA-N
MW422.48 g/mol
LogP2.98
Rot. Bonds8

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

2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one (PubChem CID 18829093) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
PubChem CID18829093
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
SMILESO=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccco1
InChIInChI=1S/C24H26N2O5/c27-19(10-9-18-6-2-1-3-7-18)21-22(20-8-4-15-31-20)26(24(29)23(21)28)12-5-11-25-13-16-30-17-14-25/h1-4,6-10,15,22,28H,5,11-14,16-17H2/b10-9+
InChIKeyLUVAGYLUURNYER-MDZDMXLPSA-N
XLogP2.98
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one (CID 18829093) is 2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
The InChIKey is LUVAGYLUURNYER-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H26N2O5/c27-19(10-9-18-6-2-1-3-7-18)21-22(20-8-4-15-31-20)26(24(29)23(21)28)12-5-11-25-13-16-30-17-14-25/h1-4,6-10,15,22,28H,5,11-14,16-17H2/b10-9+.
What are the key properties of 2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one has a molecular weight of 422.48 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is sourced from PubChem (CID 18829093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).