1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione

C24H37N5O7 — CID 121327641

About 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione

1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione (PubChem CID 121327641) has the molecular formula C24H37N5O7 and a molecular weight of 507.59 g/mol. Its IUPAC name is 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione
• PubChem CID: 121327641
• Molecular Formula: C24H37N5O7
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.27
• IUPAC Name: 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione
• SMILES: CC[C@@H]1CCN(C(=O)CCOCCOCCOCCOCCn2cc(CN3C(=O)C=CC3=O)nn2)C1
• InChI: InChI=1S/C24H37N5O7/c1-2-20-5-7-27(17-20)22(30)6-9-33-11-13-35-15-16-36-14-12-34-10-8-28-18-21(25-26-28)19-29-23(31)3-4-24(29)32/h3-4,18,20H,2,5-17,19H2,1H3/t20-/m1/s1
• InChIKey: VSJYEMBXDRKQMI-HXUWFJFHSA-N
• XLogP: 0.42
• TPSA: 125.32 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	0.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione?

The IUPAC name of 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione (CID 121327641) is 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione.

What is the SMILES notation for 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione?

The canonical SMILES for 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione is CC[C@@H]1CCN(C(=O)CCOCCOCCOCCOCCn2cc(CN3C(=O)C=CC3=O)nn2)C1.

What is the InChIKey of 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione?

The InChIKey is VSJYEMBXDRKQMI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H37N5O7/c1-2-20-5-7-27(17-20)22(30)6-9-33-11-13-35-15-16-36-14-12-34-10-8-28-18-21(25-26-28)19-29-23(31)3-4-24(29)32/h3-4,18,20H,2,5-17,19H2,1H3/t20-/m1/s1.

What are the key properties of 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione?

1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione has a molecular weight of 507.59 g/mol, XLogP of 0.42, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[2-[2-[2-[2-[3-[(3R)-3-ethylpyrrolidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 121327641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).