2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone

C22H27NO4 — CID 154867338

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone (PubChem CID 154867338) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
• PubChem CID: 154867338
• Molecular Formula: C22H27NO4
• Molecular Weight: 369.46 g/mol
• Exact Mass: 369.19
• IUPAC Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
• SMILES: O=C(Cc1coc2cc3c(cc12)CCC3)N1CC(O)CC2(CCOCC2)C1
• InChI: InChI=1S/C22H27NO4/c24-18-11-22(4-6-26-7-5-22)14-23(12-18)21(25)10-17-13-27-20-9-16-3-1-2-15(16)8-19(17)20/h8-9,13,18,24H,1-7,10-12,14H2
• InChIKey: YBSRPDVKQZWBEO-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 62.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.46
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone?

The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone (CID 154867338) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone.

What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone?

The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone is O=C(Cc1coc2cc3c(cc12)CCC3)N1CC(O)CC2(CCOCC2)C1.

What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone?

The InChIKey is YBSRPDVKQZWBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c24-18-11-22(4-6-26-7-5-22)14-23(12-18)21(25)10-17-13-27-20-9-16-3-1-2-15(16)8-19(17)20/h8-9,13,18,24H,1-7,10-12,14H2.

What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone?

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone has a molecular weight of 369.46 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone is sourced from PubChem (CID 154867338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).