1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one

C28H29NO6 — CID 108586440

About 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one

1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one (PubChem CID 108586440) has the molecular formula C28H29NO6 and a molecular weight of 475.54 g/mol. Its IUPAC name is 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 108586440
• Molecular Formula: C28H29NO6
• Molecular Weight: 475.54 g/mol
• Exact Mass: 475.20
• IUPAC Name: 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
• SMILES: COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)C3c3ccc(OC(C)C)cc3)oc12
• InChI: InChI=1S/C28H29NO6/c1-16(2)34-20-13-11-17(12-14-20)24-23(26(31)28(32)29(24)19-8-4-5-9-19)25(30)22-15-18-7-6-10-21(33-3)27(18)35-22/h6-7,10-16,19,24,31H,4-5,8-9H2,1-3H3
• InChIKey: WHOGMBNGJVMMIA-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 89.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.54
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

The IUPAC name of 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one (CID 108586440) is 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)C3c3ccc(OC(C)C)cc3)oc12.

What is the InChIKey of 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

The InChIKey is WHOGMBNGJVMMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO6/c1-16(2)34-20-13-11-17(12-14-20)24-23(26(31)28(32)29(24)19-8-4-5-9-19)25(30)22-15-18-7-6-10-21(33-3)27(18)35-22/h6-7,10-16,19,24,31H,4-5,8-9H2,1-3H3.

What are the key properties of 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one has a molecular weight of 475.54 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108586440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).