2-imidazolidin-1-yl-2-oxoacetaldehyde

C5H8N2O2 — CID 174498915

IUPAC2-imidazolidin-1-yl-2-oxoacetaldehyde
SMILESO=CC(=O)N1CCNC1
InChIInChI=1S/C5H8N2O2/c8-3-5(9)7-2-1-6-4-7/h3,6H,1-2,4H2
InChIKeyVHRHLRQFFIAERS-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.43
Rot. Bonds1

About 2-imidazolidin-1-yl-2-oxoacetaldehyde

2-imidazolidin-1-yl-2-oxoacetaldehyde (PubChem CID 174498915) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-imidazolidin-1-yl-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-imidazolidin-1-yl-2-oxoacetaldehyde
PubChem CID174498915
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name2-imidazolidin-1-yl-2-oxoacetaldehyde
SMILESO=CC(=O)N1CCNC1
InChIInChI=1S/C5H8N2O2/c8-3-5(9)7-2-1-6-4-7/h3,6H,1-2,4H2
InChIKeyVHRHLRQFFIAERS-UHFFFAOYSA-N
XLogP-1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
2-piperazin-1-ylprop-2-enal
CID 173106377
(2E)-2-hydroxyimino-1-piperazin-1-ylethanone
CID 153463003
1-(1,4-diazepan-1-yl)-3-methylbut-2-en-1-one
CID 28881262
(2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate
CID 87548960
(4-aminophenyl)-imidazolidin-1-ylmethanone;ethane
CID 153387560
piperazine-1-carbothioic S-acid
CID 22219896
2-oxo-2-piperazin-1-ylacetic acid
CID 2050152
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-imidazolidin-1-ylprop-2-en-1-one
CID 141304579
piperazine-1-carboxamide;zinc
CID 175213463
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
ethene;1-piperazin-1-ylethanone
CID 145071339

Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-1-yl-2-oxoacetaldehyde?
The IUPAC name of 2-imidazolidin-1-yl-2-oxoacetaldehyde (CID 174498915) is 2-imidazolidin-1-yl-2-oxoacetaldehyde.
What is the SMILES notation for 2-imidazolidin-1-yl-2-oxoacetaldehyde?
The canonical SMILES for 2-imidazolidin-1-yl-2-oxoacetaldehyde is O=CC(=O)N1CCNC1.
What is the InChIKey of 2-imidazolidin-1-yl-2-oxoacetaldehyde?
The InChIKey is VHRHLRQFFIAERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c8-3-5(9)7-2-1-6-4-7/h3,6H,1-2,4H2.
What are the key properties of 2-imidazolidin-1-yl-2-oxoacetaldehyde?
2-imidazolidin-1-yl-2-oxoacetaldehyde has a molecular weight of 128.13 g/mol, XLogP of -1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-1-yl-2-oxoacetaldehyde is sourced from PubChem (CID 174498915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).