3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one

C27H24N2O4 — CID 108604454

About 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one (PubChem CID 108604454) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
• PubChem CID: 108604454
• Molecular Formula: C27H24N2O4
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.17
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(C2CCCCC2)C1c1c[nH]c2ccccc12)c1cc2ccccc2o1
• InChI: InChI=1S/C27H24N2O4/c30-25(22-14-16-8-4-7-13-21(16)33-22)23-24(19-15-28-20-12-6-5-11-18(19)20)29(27(32)26(23)31)17-9-2-1-3-10-17/h4-8,11-15,17,24,28,31H,1-3,9-10H2
• InChIKey: FEWANNYLCOSQRU-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 86.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one (CID 108604454) is 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(C2CCCCC2)C1c1c[nH]c2ccccc12)c1cc2ccccc2o1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?

The InChIKey is FEWANNYLCOSQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c30-25(22-14-16-8-4-7-13-21(16)33-22)23-24(19-15-28-20-12-6-5-11-18(19)20)29(27(32)26(23)31)17-9-2-1-3-10-17/h4-8,11-15,17,24,28,31H,1-3,9-10H2.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one has a molecular weight of 440.50 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108604454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).