8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one

C26H32N2O4 — CID 123428565

About 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one

8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 123428565) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 123428565
• Molecular Formula: C26H32N2O4
• Molecular Weight: 436.55 g/mol
• Exact Mass: 436.24
• IUPAC Name: 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
• SMILES: C=C1OCc2c1ccc(C(O)CN1CCC3(CC1)CCN(C1=C(C)C(=O)CC1)C3=O)c2C
• InChI: InChI=1S/C26H32N2O4/c1-16-19(4-5-20-18(3)32-15-21(16)20)24(30)14-27-11-8-26(9-12-27)10-13-28(25(26)31)22-6-7-23(29)17(22)2/h4-5,24,30H,3,6-15H2,1-2H3
• InChIKey: LOPOYHXAJQEUTQ-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 70.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.55
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?

The IUPAC name of 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 123428565) is 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is C=C1OCc2c1ccc(C(O)CN1CCC3(CC1)CCN(C1=C(C)C(=O)CC1)C3=O)c2C.

What is the InChIKey of 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is LOPOYHXAJQEUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-16-19(4-5-20-18(3)32-15-21(16)20)24(30)14-27-11-8-26(9-12-27)10-13-28(25(26)31)22-6-7-23(29)17(22)2/h4-5,24,30H,3,6-15H2,1-2H3.

What are the key properties of 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?

8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 436.55 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 123428565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).