1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione

C17H22N2O6 — CID 18417215

IUPAC1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCOCCCOCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H22N2O6/c20-14-4-5-15(21)18(14)8-1-10-24-12-3-13-25-11-2-9-19-16(22)6-7-17(19)23/h4-7H,1-3,8-13H2
InChIKeyGRKKVHFJGMDVGW-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.04
Rot. Bonds12

About 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione

1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione (PubChem CID 18417215) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
PubChem CID18417215
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCOCCCOCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H22N2O6/c20-14-4-5-15(21)18(14)8-1-10-24-12-3-13-25-11-2-9-19-16(22)6-7-17(19)23/h4-7H,1-3,8-13H2
InChIKeyGRKKVHFJGMDVGW-UHFFFAOYSA-N
XLogP0.04
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]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

Related Compounds

1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione
CID 59992624
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 19880482
1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione
CID 77078224
3-(2,5-dioxopyrrol-1-yl)propyl carbonochloridate
CID 153373502
S-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl] 5-[5-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]sulfanyl-5-oxopentoxy]pentanethioate
CID 158165521
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 132917103
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034105
3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034103
1-(4-methylperoxybutyl)pyrrole-2,5-dione
CID 20805365

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione (CID 18417215) is 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCOCCCOCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione?
The InChIKey is GRKKVHFJGMDVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c20-14-4-5-15(21)18(14)8-1-10-24-12-3-13-25-11-2-9-19-16(22)6-7-17(19)23/h4-7H,1-3,8-13H2.
What are the key properties of 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione?
1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione has a molecular weight of 350.37 g/mol, XLogP of 0.04, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 18417215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).