2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde

C7H10N2O2 — CID 82416692

IUPAC2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
SMILESCCc1cn(CC=O)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-2-6-5-9(3-4-10)7(11)8-6/h4-5H,2-3H2,1H3,(H,8,11)
InChIKeyXYBZZJLNEVQFAV-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.06
Rot. Bonds3

About 2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde

2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde (PubChem CID 82416692) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
PubChem CID82416692
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
SMILESCCc1cn(CC=O)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-2-6-5-9(3-4-10)7(11)8-6/h4-5H,2-3H2,1H3,(H,8,11)
InChIKeyXYBZZJLNEVQFAV-UHFFFAOYSA-N
XLogP-0.06
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.06
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-(3-methyl-2-oxo-1H-imidazol-5-yl)acetaldehyde
CID 123177948
3-methyl-2-oxo-1H-imidazole-5-carbaldehyde
CID 148647274
2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
CID 82418256
2-(5-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
CID 82418270
2-(3,5-Dimethyl-2-oxoimidazol-1-yl)acetaldehyde
CID 112545269
2-(1,3-Dimethyl-2-oxoimidazol-4-yl)acetaldehyde
CID 112711899
2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide
CID 144562086

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde?
The IUPAC name of 2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde (CID 82416692) is 2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde is CCc1cn(CC=O)c(=O)[nH]1.
What is the InChIKey of 2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde?
The InChIKey is XYBZZJLNEVQFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-6-5-9(3-4-10)7(11)8-6/h4-5H,2-3H2,1H3,(H,8,11).
What are the key properties of 2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde?
2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde has a molecular weight of 154.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde is sourced from PubChem (CID 82416692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).