[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C24H27NO6 — CID 7901952

About [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 7901952) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

• Compound Name: [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
• PubChem CID: 7901952
• Molecular Formula: C24H27NO6
• Molecular Weight: 425.48 g/mol
• Exact Mass: 425.18
• IUPAC Name: [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
• SMILES: COc1ccc2c(CC(=O)OCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)coc2c1
• InChI: InChI=1S/C24H27NO6/c1-15-9-21(16(2)25(15)12-19-5-4-8-29-19)22(26)14-31-24(27)10-17-13-30-23-11-18(28-3)6-7-20(17)23/h6-7,9,11,13,19H,4-5,8,10,12,14H2,1-3H3/t19-/m0/s1
• InChIKey: YXJACJSEHCRBOG-IBGZPJMESA-N
• XLogP: 4.01
• TPSA: 79.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.48
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?

The IUPAC name of [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 7901952) is [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

What is the SMILES notation for [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?

The canonical SMILES for [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)coc2c1.

What is the InChIKey of [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?

The InChIKey is YXJACJSEHCRBOG-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27NO6/c1-15-9-21(16(2)25(15)12-19-5-4-8-29-19)22(26)14-31-24(27)10-17-13-30-23-11-18(28-3)6-7-20(17)23/h6-7,9,11,13,19H,4-5,8,10,12,14H2,1-3H3/t19-/m0/s1.

What are the key properties of [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?

[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 425.48 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7901952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).