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

C12H17NO5 — CID 18439139

IUPAC1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione
SMILESCOC1CC(N2C(=O)C=CC2=O)C(OC)C1OC
InChIInChI=1S/C12H17NO5/c1-16-8-6-7(11(17-2)12(8)18-3)13-9(14)4-5-10(13)15/h4-5,7-8,11-12H,6H2,1-3H3
InChIKeyZUJYLJIPXWMPEY-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.27
Rot. Bonds4

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

1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione (PubChem CID 18439139) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione
PubChem CID18439139
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione
SMILESCOC1CC(N2C(=O)C=CC2=O)C(OC)C1OC
InChIInChI=1S/C12H17NO5/c1-16-8-6-7(11(17-2)12(8)18-3)13-9(14)4-5-10(13)15/h4-5,7-8,11-12H,6H2,1-3H3
InChIKeyZUJYLJIPXWMPEY-UHFFFAOYSA-N
XLogP-0.27
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.27
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-trimethoxycyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione (CID 18439139) is 1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione is COC1CC(N2C(=O)C=CC2=O)C(OC)C1OC.
What is the InChIKey of 1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione?
The InChIKey is ZUJYLJIPXWMPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-16-8-6-7(11(17-2)12(8)18-3)13-9(14)4-5-10(13)15/h4-5,7-8,11-12H,6H2,1-3H3.
What are the key properties of 1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione?
1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione has a molecular weight of 255.27 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethoxycyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18439139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).