8-(2,5-dioxopyrrolidin-3-yl)octanal

C12H19NO3 — CID 141287345

IUPAC8-(2,5-dioxopyrrolidin-3-yl)octanal
SMILESO=CCCCCCCCC1CC(=O)NC1=O
InChIInChI=1S/C12H19NO3/c14-8-6-4-2-1-3-5-7-10-9-11(15)13-12(10)16/h8,10H,1-7,9H2,(H,13,15,16)
InChIKeyXMNQVZALKGGVFM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.58
Rot. Bonds8

About 8-(2,5-dioxopyrrolidin-3-yl)octanal

8-(2,5-dioxopyrrolidin-3-yl)octanal (PubChem CID 141287345) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 8-(2,5-dioxopyrrolidin-3-yl)octanal.

Molecular Properties

Compound Name8-(2,5-dioxopyrrolidin-3-yl)octanal
PubChem CID141287345
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name8-(2,5-dioxopyrrolidin-3-yl)octanal
SMILESO=CCCCCCCCC1CC(=O)NC1=O
InChIInChI=1S/C12H19NO3/c14-8-6-4-2-1-3-5-7-10-9-11(15)13-12(10)16/h8,10H,1-7,9H2,(H,13,15,16)
InChIKeyXMNQVZALKGGVFM-UHFFFAOYSA-N
XLogP1.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 8-(2,5-dioxopyrrolidin-3-yl)octanal?
The IUPAC name of 8-(2,5-dioxopyrrolidin-3-yl)octanal (CID 141287345) is 8-(2,5-dioxopyrrolidin-3-yl)octanal.
What is the SMILES notation for 8-(2,5-dioxopyrrolidin-3-yl)octanal?
The canonical SMILES for 8-(2,5-dioxopyrrolidin-3-yl)octanal is O=CCCCCCCCC1CC(=O)NC1=O.
What is the InChIKey of 8-(2,5-dioxopyrrolidin-3-yl)octanal?
The InChIKey is XMNQVZALKGGVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-8-6-4-2-1-3-5-7-10-9-11(15)13-12(10)16/h8,10H,1-7,9H2,(H,13,15,16).
What are the key properties of 8-(2,5-dioxopyrrolidin-3-yl)octanal?
8-(2,5-dioxopyrrolidin-3-yl)octanal has a molecular weight of 225.29 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dioxopyrrolidin-3-yl)octanal is sourced from PubChem (CID 141287345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).