[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C24H29NO5 — CID 7291089

About [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 7291089) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

• Compound Name: [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
• PubChem CID: 7291089
• Molecular Formula: C24H29NO5
• Molecular Weight: 411.50 g/mol
• Exact Mass: 411.20
• IUPAC Name: [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
• SMILES: Cc1cc(C(=O)COC(=O)COc2ccc3c(c2)CCC3)c(C)n1C[C@H]1CCCO1
• InChI: InChI=1S/C24H29NO5/c1-16-11-22(17(2)25(16)13-21-7-4-10-28-21)23(26)14-30-24(27)15-29-20-9-8-18-5-3-6-19(18)12-20/h8-9,11-12,21H,3-7,10,13-15H2,1-2H3/t21-/m1/s1
• InChIKey: DIEWHIFIZIKBGS-OAQYLSRUSA-N
• XLogP: 3.58
• TPSA: 66.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.50
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?

The IUPAC name of [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 7291089) is [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

What is the SMILES notation for [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?

The canonical SMILES for [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is Cc1cc(C(=O)COC(=O)COc2ccc3c(c2)CCC3)c(C)n1C[C@H]1CCCO1.

What is the InChIKey of [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?

The InChIKey is DIEWHIFIZIKBGS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29NO5/c1-16-11-22(17(2)25(16)13-21-7-4-10-28-21)23(26)14-30-24(27)15-29-20-9-8-18-5-3-6-19(18)12-20/h8-9,11-12,21H,3-7,10,13-15H2,1-2H3/t21-/m1/s1.

What are the key properties of [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?

[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 411.50 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 7291089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).