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

C17H27NO6 — CID 18439148

IUPAC1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione
SMILESCCOC1C(OCC)C(OCC)C(N2C(=O)C=CC2=O)C1OCC
InChIInChI=1S/C17H27NO6/c1-5-21-14-13(18-11(19)9-10-12(18)20)15(22-6-2)17(24-8-4)16(14)23-7-3/h9-10,13-17H,5-8H2,1-4H3
InChIKeyDLYFMABLQXBMPQ-UHFFFAOYSA-N
MW341.40 g/mol
LogP0.91
Rot. Bonds9

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

1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione (PubChem CID 18439148) has the molecular formula C17H27NO6 and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione
PubChem CID18439148
Molecular FormulaC17H27NO6
Molecular Weight341.40 g/mol
Exact Mass341.18
IUPAC Name1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione
SMILESCCOC1C(OCC)C(OCC)C(N2C(=O)C=CC2=O)C1OCC
InChIInChI=1S/C17H27NO6/c1-5-21-14-13(18-11(19)9-10-12(18)20)15(22-6-2)17(24-8-4)16(14)23-7-3/h9-10,13-17H,5-8H2,1-4H3
InChIKeyDLYFMABLQXBMPQ-UHFFFAOYSA-N
XLogP0.91
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione (CID 18439148) is 1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione is CCOC1C(OCC)C(OCC)C(N2C(=O)C=CC2=O)C1OCC.
What is the InChIKey of 1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione?
The InChIKey is DLYFMABLQXBMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO6/c1-5-21-14-13(18-11(19)9-10-12(18)20)15(22-6-2)17(24-8-4)16(14)23-7-3/h9-10,13-17H,5-8H2,1-4H3.
What are the key properties of 1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione?
1-(2,3,4,5-tetraethoxycyclopentyl)pyrrole-2,5-dione has a molecular weight of 341.40 g/mol, XLogP of 0.91, 9 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-tetraethoxycyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18439148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).