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

IUPAC1-[[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
SMILESCC[C@@H]1CCN(C(=O)CCOCCOCCOCCOCCn2cc(CN3C(=O)C=CC3=O)nn2)C1
InChIInChI=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
InChIKeyVSJYEMBXDRKQMI-HXUWFJFHSA-N
MW507.59 g/mol
LogP0.42
Rot. Bonds18

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 Name1-[[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 CID121327641
Molecular FormulaC24H37N5O7
Molecular Weight507.59 g/mol
Exact Mass507.27
IUPAC Name1-[[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
SMILESCC[C@@H]1CCN(C(=O)CCOCCOCCOCCOCCn2cc(CN3C(=O)C=CC3=O)nn2)C1
InChIInChI=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
InChIKeyVSJYEMBXDRKQMI-HXUWFJFHSA-N
XLogP0.42
TPSA125.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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).