1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione

C13H19NO4 — CID 18439119

IUPAC1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione
SMILESCCOC1CCC(N2C(=O)C=CC2=O)C1OCC
InChIInChI=1S/C13H19NO4/c1-3-17-10-6-5-9(13(10)18-4-2)14-11(15)7-8-12(14)16/h7-10,13H,3-6H2,1-2H3
InChIKeyKETBMQWDYQZXTC-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.88
Rot. Bonds5

About 1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione

1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione (PubChem CID 18439119) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione
PubChem CID18439119
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione
SMILESCCOC1CCC(N2C(=O)C=CC2=O)C1OCC
InChIInChI=1S/C13H19NO4/c1-3-17-10-6-5-9(13(10)18-4-2)14-11(15)7-8-12(14)16/h7-10,13H,3-6H2,1-2H3
InChIKeyKETBMQWDYQZXTC-UHFFFAOYSA-N
XLogP0.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-diethoxycyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione (CID 18439119) is 1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione is CCOC1CCC(N2C(=O)C=CC2=O)C1OCC.
What is the InChIKey of 1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione?
The InChIKey is KETBMQWDYQZXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-17-10-6-5-9(13(10)18-4-2)14-11(15)7-8-12(14)16/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione?
1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione has a molecular weight of 253.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethoxycyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18439119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).