2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde

C7H10N2O2 — CID 112711899

IUPAC2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde
SMILESCn1cc(CC=O)n(C)c1=O
InChIInChI=1S/C7H10N2O2/c1-8-5-6(3-4-10)9(2)7(8)11/h4-5H,3H2,1-2H3
InChIKeyWRWLIAMEDPECFI-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.53
Rot. Bonds2

About 2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde

2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde (PubChem CID 112711899) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde
PubChem CID112711899
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde
SMILESCn1cc(CC=O)n(C)c1=O
InChIInChI=1S/C7H10N2O2/c1-8-5-6(3-4-10)9(2)7(8)11/h4-5H,3H2,1-2H3
InChIKeyWRWLIAMEDPECFI-UHFFFAOYSA-N
XLogP-0.53
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 ≤ 5-0.53
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

2-(3-methyl-2-oxo-1H-imidazol-5-yl)acetaldehyde
CID 123177948
3-(3-Methyl-2-oxoimidazol-1-yl)propanal
CID 80581435
2-(5-ethyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
CID 82416692

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde?
The IUPAC name of 2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde (CID 112711899) is 2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde is Cn1cc(CC=O)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde?
The InChIKey is WRWLIAMEDPECFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-8-5-6(3-4-10)9(2)7(8)11/h4-5H,3H2,1-2H3.
What are the key properties of 2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde?
2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde has a molecular weight of 154.17 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2-oxoimidazol-4-yl)acetaldehyde is sourced from PubChem (CID 112711899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).