2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C23H23ClN2O5 — CID 6225558

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

2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 6225558) has the molecular formula C23H23ClN2O5 and a molecular weight of 442.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
• PubChem CID: 6225558
• Molecular Formula: C23H23ClN2O5
• Molecular Weight: 442.90 g/mol
• Exact Mass: 442.13
• IUPAC Name: 2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
• SMILES: O=C(/C=C/c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccc(Cl)c1
• InChI: InChI=1S/C23H23ClN2O5/c24-17-4-1-3-16(15-17)21-20(19(27)7-6-18-5-2-12-31-18)22(28)23(29)26(21)9-8-25-10-13-30-14-11-25/h1-7,12,15,21,28H,8-11,13-14H2/b7-6+
• InChIKey: PQYAPQRDLOCCMD-VOTSOKGWSA-N
• XLogP: 3.24
• TPSA: 83.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.90
LogP ≤ 5	3.24
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 2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?

The IUPAC name of 2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 6225558) is 2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

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

The canonical SMILES for 2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is O=C(/C=C/c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccc(Cl)c1.

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

The InChIKey is PQYAPQRDLOCCMD-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H23ClN2O5/c24-17-4-1-3-16(15-17)21-20(19(27)7-6-18-5-2-12-31-18)22(28)23(29)26(21)9-8-25-10-13-30-14-11-25/h1-7,12,15,21,28H,8-11,13-14H2/b7-6+.

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

2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 442.90 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 6225558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).