1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione

C14H18N2O5 — CID 66738103

IUPAC1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCON1C(=O)CCC1=O
InChIInChI=1S/C14H18N2O5/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-21-16-13(19)7-8-14(16)20/h5-6H,1-4,7-10H2
InChIKeyPLABRQCIPGWRMG-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.55
Rot. Bonds8

About 1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione

1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione (PubChem CID 66738103) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione
PubChem CID66738103
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCON1C(=O)CCC1=O
InChIInChI=1S/C14H18N2O5/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-21-16-13(19)7-8-14(16)20/h5-6H,1-4,7-10H2
InChIKeyPLABRQCIPGWRMG-UHFFFAOYSA-N
XLogP0.55
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]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-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione (CID 66738103) is 1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCON1C(=O)CCC1=O.
What is the InChIKey of 1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione?
The InChIKey is PLABRQCIPGWRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-21-16-13(19)7-8-14(16)20/h5-6H,1-4,7-10H2.
What are the key properties of 1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione?
1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione has a molecular weight of 294.31 g/mol, XLogP of 0.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione is sourced from PubChem (CID 66738103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).