2-(2-oxoimidazolidin-1-yl)acetaldehyde

C5H8N2O2 — CID 19031600

IUPAC2-(2-oxoimidazolidin-1-yl)acetaldehyde
SMILESO=CCN1CCNC1=O
InChIInChI=1S/C5H8N2O2/c8-4-3-7-2-1-6-5(7)9/h4H,1-3H2,(H,6,9)
InChIKeyJZJYUCCCBDCNRU-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.79
Rot. Bonds2

About 2-(2-oxoimidazolidin-1-yl)acetaldehyde

2-(2-oxoimidazolidin-1-yl)acetaldehyde (PubChem CID 19031600) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-(2-oxoimidazolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-oxoimidazolidin-1-yl)acetaldehyde
PubChem CID19031600
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name2-(2-oxoimidazolidin-1-yl)acetaldehyde
SMILESO=CCN1CCNC1=O
InChIInChI=1S/C5H8N2O2/c8-4-3-7-2-1-6-5(7)9/h4H,1-3H2,(H,6,9)
InChIKeyJZJYUCCCBDCNRU-UHFFFAOYSA-N
XLogP-0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoimidazolidin-1-yl)acetaldehyde?
The IUPAC name of 2-(2-oxoimidazolidin-1-yl)acetaldehyde (CID 19031600) is 2-(2-oxoimidazolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-oxoimidazolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-oxoimidazolidin-1-yl)acetaldehyde is O=CCN1CCNC1=O.
What is the InChIKey of 2-(2-oxoimidazolidin-1-yl)acetaldehyde?
The InChIKey is JZJYUCCCBDCNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c8-4-3-7-2-1-6-5(7)9/h4H,1-3H2,(H,6,9).
What are the key properties of 2-(2-oxoimidazolidin-1-yl)acetaldehyde?
2-(2-oxoimidazolidin-1-yl)acetaldehyde has a molecular weight of 128.13 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoimidazolidin-1-yl)acetaldehyde is sourced from PubChem (CID 19031600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).