2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde

C8H14N2O2 — CID 84765786

IUPAC2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde
SMILESCCCN1CCN(CC=O)C1=O
InChIInChI=1S/C8H14N2O2/c1-2-3-9-4-5-10(6-7-11)8(9)12/h7H,2-6H2,1H3
InChIKeyVPYQSKPXEXUWFB-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.33
Rot. Bonds4

About 2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde

2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde (PubChem CID 84765786) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde
PubChem CID84765786
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde
SMILESCCCN1CCN(CC=O)C1=O
InChIInChI=1S/C8H14N2O2/c1-2-3-9-4-5-10(6-7-11)8(9)12/h7H,2-6H2,1H3
InChIKeyVPYQSKPXEXUWFB-UHFFFAOYSA-N
XLogP0.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.33
H-Bond Donors ≤ 50
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-oxo-3-propylimidazolidin-1-yl)acetaldehyde?
The IUPAC name of 2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde (CID 84765786) is 2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde is CCCN1CCN(CC=O)C1=O.
What is the InChIKey of 2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde?
The InChIKey is VPYQSKPXEXUWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-3-9-4-5-10(6-7-11)8(9)12/h7H,2-6H2,1H3.
What are the key properties of 2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde?
2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde has a molecular weight of 170.21 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde is sourced from PubChem (CID 84765786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).