4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

C32H32N2O5 — CID 6190052

About 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one (PubChem CID 6190052) has the molecular formula C32H32N2O5 and a molecular weight of 524.62 g/mol. Its IUPAC name is 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
• PubChem CID: 6190052
• Molecular Formula: C32H32N2O5
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.23
• IUPAC Name: 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
• SMILES: O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccc(OCc2ccccc2)c1
• InChI: InChI=1S/C32H32N2O5/c35-28(15-14-24-8-3-1-4-9-24)29-30(34(32(37)31(29)36)17-16-33-18-20-38-21-19-33)26-12-7-13-27(22-26)39-23-25-10-5-2-6-11-25/h1-15,22,30,36H,16-21,23H2/b15-14+
• InChIKey: XADKYVSICIMKHU-CCEZHUSRSA-N
• XLogP: 4.58
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one (CID 6190052) is 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccc(OCc2ccccc2)c1.

What is the InChIKey of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?

The InChIKey is XADKYVSICIMKHU-CCEZHUSRSA-N. The full InChI is InChI=1S/C32H32N2O5/c35-28(15-14-24-8-3-1-4-9-24)29-30(34(32(37)31(29)36)17-16-33-18-20-38-21-19-33)26-12-7-13-27(22-26)39-23-25-10-5-2-6-11-25/h1-15,22,30,36H,16-21,23H2/b15-14+.

What are the key properties of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?

4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one has a molecular weight of 524.62 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is sourced from PubChem (CID 6190052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).