2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde

C10H13N3O4 — CID 145098384

IUPAC2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde
SMILESCC1CC(N2C(=O)CNC2=O)C(=O)N1CC=O
InChIInChI=1S/C10H13N3O4/c1-6-4-7(9(16)12(6)2-3-14)13-8(15)5-11-10(13)17/h3,6-7H,2,4-5H2,1H3,(H,11,17)
InChIKeySIOIAEVHXZXIMH-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.27
Rot. Bonds3

About 2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde

2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde (PubChem CID 145098384) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde
PubChem CID145098384
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde
SMILESCC1CC(N2C(=O)CNC2=O)C(=O)N1CC=O
InChIInChI=1S/C10H13N3O4/c1-6-4-7(9(16)12(6)2-3-14)13-8(15)5-11-10(13)17/h3,6-7H,2,4-5H2,1H3,(H,11,17)
InChIKeySIOIAEVHXZXIMH-UHFFFAOYSA-N
XLogP-1.27
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde?
The IUPAC name of 2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde (CID 145098384) is 2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde is CC1CC(N2C(=O)CNC2=O)C(=O)N1CC=O.
What is the InChIKey of 2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde?
The InChIKey is SIOIAEVHXZXIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-4-7(9(16)12(6)2-3-14)13-8(15)5-11-10(13)17/h3,6-7H,2,4-5H2,1H3,(H,11,17).
What are the key properties of 2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde?
2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde has a molecular weight of 239.23 g/mol, XLogP of -1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde is sourced from PubChem (CID 145098384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).