2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde

C6H8N2O2 — CID 82418256

IUPAC2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
SMILESCc1c[nH]c(=O)n1CC=O
InChIInChI=1S/C6H8N2O2/c1-5-4-7-6(10)8(5)2-3-9/h3-4H,2H2,1H3,(H,7,10)
InChIKeyIFWWJHAWFRLOQD-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.32
Rot. Bonds2

About 2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde

2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde (PubChem CID 82418256) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
PubChem CID82418256
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
SMILESCc1c[nH]c(=O)n1CC=O
InChIInChI=1S/C6H8N2O2/c1-5-4-7-6(10)8(5)2-3-9/h3-4H,2H2,1H3,(H,7,10)
InChIKeyIFWWJHAWFRLOQD-UHFFFAOYSA-N
XLogP-0.32
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 2724951
3-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 45087282
3-methyl-2H-imidazole-1,2,4-tricarbaldehyde
CID 57189768
2,3-Dimethyl-1,2-dihydroimidazole-5-carbaldehyde
CID 88240919
3-Methyl-1,2-dihydroimidazole-4-carbaldehyde
CID 143200931
3-methyl-2-oxo-1H-imidazole-5-carbaldehyde
CID 148647274
2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetamide
CID 82403073
2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde
CID 82416667
2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
CID 82416692
2-(5-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
CID 82418270
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 83681681
2-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
CID 84013534

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde?
The IUPAC name of 2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde (CID 82418256) is 2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde?
The canonical SMILES for 2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde is Cc1c[nH]c(=O)n1CC=O.
What is the InChIKey of 2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde?
The InChIKey is IFWWJHAWFRLOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5-4-7-6(10)8(5)2-3-9/h3-4H,2H2,1H3,(H,7,10).
What are the key properties of 2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde?
2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde has a molecular weight of 140.14 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde is sourced from PubChem (CID 82418256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).