2-(2,5-dioxopyrrolidin-1-yl)propanal

C7H9NO3 — CID 23028466

IUPAC2-(2,5-dioxopyrrolidin-1-yl)propanal
SMILESCC(C=O)N1C(=O)CCC1=O
InChIInChI=1S/C7H9NO3/c1-5(4-9)8-6(10)2-3-7(8)11/h4-5H,2-3H2,1H3
InChIKeySMKKIGNWUYNRDP-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.28
Rot. Bonds2

About 2-(2,5-dioxopyrrolidin-1-yl)propanal

2-(2,5-dioxopyrrolidin-1-yl)propanal (PubChem CID 23028466) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)propanal.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)propanal
PubChem CID23028466
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)propanal
SMILESCC(C=O)N1C(=O)CCC1=O
InChIInChI=1S/C7H9NO3/c1-5(4-9)8-6(10)2-3-7(8)11/h4-5H,2-3H2,1H3
InChIKeySMKKIGNWUYNRDP-UHFFFAOYSA-N
XLogP-0.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)propanal?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)propanal (CID 23028466) is 2-(2,5-dioxopyrrolidin-1-yl)propanal.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)propanal?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)propanal is CC(C=O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)propanal?
The InChIKey is SMKKIGNWUYNRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(4-9)8-6(10)2-3-7(8)11/h4-5H,2-3H2,1H3.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)propanal?
2-(2,5-dioxopyrrolidin-1-yl)propanal has a molecular weight of 155.15 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)propanal is sourced from PubChem (CID 23028466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).