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

C14H16N2O5 — CID 18387175

IUPAC1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione
SMILESO=C(CCCCN1C(=O)C=CC1=O)CN1C(=O)CCC1=O
InChIInChI=1S/C14H16N2O5/c17-10(9-16-13(20)6-7-14(16)21)3-1-2-8-15-11(18)4-5-12(15)19/h4-5H,1-3,6-9H2
InChIKeyZQRYZXKICDGIGP-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.20
Rot. Bonds7

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

1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione (PubChem CID 18387175) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione
PubChem CID18387175
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione
SMILESO=C(CCCCN1C(=O)C=CC1=O)CN1C(=O)CCC1=O
InChIInChI=1S/C14H16N2O5/c17-10(9-16-13(20)6-7-14(16)21)3-1-2-8-15-11(18)4-5-12(15)19/h4-5H,1-3,6-9H2
InChIKeyZQRYZXKICDGIGP-UHFFFAOYSA-N
XLogP-0.20
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.20
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)-5-oxohexyl]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)-5-oxohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione (CID 18387175) is 1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione is O=C(CCCCN1C(=O)C=CC1=O)CN1C(=O)CCC1=O.
What is the InChIKey of 1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione?
The InChIKey is ZQRYZXKICDGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-10(9-16-13(20)6-7-14(16)21)3-1-2-8-15-11(18)4-5-12(15)19/h4-5H,1-3,6-9H2.
What are the key properties of 1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione?
1-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]pyrrole-2,5-dione has a molecular weight of 292.29 g/mol, XLogP of -0.20, 7 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)-5-oxohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 18387175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).