2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde

C7H10N2O2 — CID 112545269

IUPAC2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde
SMILESCc1cn(C)c(=O)n1CC=O
InChIInChI=1S/C7H10N2O2/c1-6-5-8(2)7(11)9(6)3-4-10/h4-5H,3H2,1-2H3
InChIKeyLAIUSLFGOXSOPS-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.31
Rot. Bonds2

About 2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde

2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde (PubChem CID 112545269) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde
PubChem CID112545269
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde
SMILESCc1cn(C)c(=O)n1CC=O
InChIInChI=1S/C7H10N2O2/c1-6-5-8(2)7(11)9(6)3-4-10/h4-5H,3H2,1-2H3
InChIKeyLAIUSLFGOXSOPS-UHFFFAOYSA-N
XLogP-0.31
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethyl-2H-imidazole-4-carbaldehyde
CID 23026362
3-methyl-2H-imidazole-1,2,4-tricarbaldehyde
CID 57189768
3-Ethynyl-1-methyl-2-oxoimidazole-4-carbaldehyde
CID 163538186
2-(3-Ethyl-2-oxoimidazol-1-yl)acetaldehyde
CID 80580866
2-(3-Methyl-2-oxoimidazol-1-yl)acetaldehyde
CID 80581012
2-(2-Oxo-3-propan-2-ylimidazol-1-yl)acetaldehyde
CID 80581508
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-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
CID 82418256
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-(3,4,5-Trimethyl-2-oxoimidazol-1-yl)acetaldehyde
CID 84013710

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde?
The IUPAC name of 2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde (CID 112545269) is 2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde is Cc1cn(C)c(=O)n1CC=O.
What is the InChIKey of 2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde?
The InChIKey is LAIUSLFGOXSOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6-5-8(2)7(11)9(6)3-4-10/h4-5H,3H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde?
2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde has a molecular weight of 154.17 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-oxoimidazol-1-yl)acetaldehyde is sourced from PubChem (CID 112545269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).