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

C13H19NO6 — CID 18439154

IUPAC1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione
SMILESCOC1C(OC)C(OC)C(N2C(=O)C=CC2=O)C1OC
InChIInChI=1S/C13H19NO6/c1-17-10-9(14-7(15)5-6-8(14)16)11(18-2)13(20-4)12(10)19-3/h5-6,9-13H,1-4H3
InChIKeyIGLJGFGTCYOGHU-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.65
Rot. Bonds5

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

1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione (PubChem CID 18439154) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione
PubChem CID18439154
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Name1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione
SMILESCOC1C(OC)C(OC)C(N2C(=O)C=CC2=O)C1OC
InChIInChI=1S/C13H19NO6/c1-17-10-9(14-7(15)5-6-8(14)16)11(18-2)13(20-4)12(10)19-3/h5-6,9-13H,1-4H3
InChIKeyIGLJGFGTCYOGHU-UHFFFAOYSA-N
XLogP-0.65
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione (CID 18439154) is 1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione is COC1C(OC)C(OC)C(N2C(=O)C=CC2=O)C1OC.
What is the InChIKey of 1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione?
The InChIKey is IGLJGFGTCYOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6/c1-17-10-9(14-7(15)5-6-8(14)16)11(18-2)13(20-4)12(10)19-3/h5-6,9-13H,1-4H3.
What are the key properties of 1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione?
1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione has a molecular weight of 285.30 g/mol, XLogP of -0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetramethoxycyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18439154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).