1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione

C16H20N2O4 — CID 573537

IUPAC1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H20N2O4/c19-13-7-8-14(20)17(13)11-5-3-1-2-4-6-12-18-15(21)9-10-16(18)22/h7-10H,1-6,11-12H2
InChIKeyVXPOITUJBTZGNG-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.18
Rot. Bonds9

About 1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione

1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione (PubChem CID 573537) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione
PubChem CID573537
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H20N2O4/c19-13-7-8-14(20)17(13)11-5-3-1-2-4-6-12-18-15(21)9-10-16(18)22/h7-10H,1-6,11-12H2
InChIKeyVXPOITUJBTZGNG-UHFFFAOYSA-N
XLogP1.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione?
The IUPAC name of 1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione (CID 573537) is 1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione?
The InChIKey is VXPOITUJBTZGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-13-7-8-14(20)17(13)11-5-3-1-2-4-6-12-18-15(21)9-10-16(18)22/h7-10H,1-6,11-12H2.
What are the key properties of 1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione?
1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione has a molecular weight of 304.35 g/mol, XLogP of 1.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,5-dioxopyrrol-1-yl)octyl]pyrrole-2,5-dione is sourced from PubChem (CID 573537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).