1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione

C15H23NO5 — CID 18439133

IUPAC1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione
SMILESCCOC1CC(N2C(=O)C=CC2=O)C(OCC)C1OCC
InChIInChI=1S/C15H23NO5/c1-4-19-11-9-10(16-12(17)7-8-13(16)18)14(20-5-2)15(11)21-6-3/h7-8,10-11,14-15H,4-6,9H2,1-3H3
InChIKeyISMKFNWHVHPSGO-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.90
Rot. Bonds7

About 1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione

1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione (PubChem CID 18439133) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione
PubChem CID18439133
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione
SMILESCCOC1CC(N2C(=O)C=CC2=O)C(OCC)C1OCC
InChIInChI=1S/C15H23NO5/c1-4-19-11-9-10(16-12(17)7-8-13(16)18)14(20-5-2)15(11)21-6-3/h7-8,10-11,14-15H,4-6,9H2,1-3H3
InChIKeyISMKFNWHVHPSGO-UHFFFAOYSA-N
XLogP0.90
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione (CID 18439133) is 1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione is CCOC1CC(N2C(=O)C=CC2=O)C(OCC)C1OCC.
What is the InChIKey of 1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione?
The InChIKey is ISMKFNWHVHPSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-4-19-11-9-10(16-12(17)7-8-13(16)18)14(20-5-2)15(11)21-6-3/h7-8,10-11,14-15H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione?
1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione has a molecular weight of 297.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-triethoxycyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18439133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).