3-methyl-1,2-dihydroimidazole-4-carbaldehyde

C5H8N2O — CID 143200931

IUPAC3-methyl-1,2-dihydroimidazole-4-carbaldehyde
SMILESCN1CNC=C1C=O
InChIInChI=1S/C5H8N2O/c1-7-4-6-2-5(7)3-8/h2-3,6H,4H2,1H3
InChIKeyRSEABPHZLJJJSQ-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.48
Rot. Bonds1

About 3-methyl-1,2-dihydroimidazole-4-carbaldehyde

3-methyl-1,2-dihydroimidazole-4-carbaldehyde (PubChem CID 143200931) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-methyl-1,2-dihydroimidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-1,2-dihydroimidazole-4-carbaldehyde
PubChem CID143200931
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-methyl-1,2-dihydroimidazole-4-carbaldehyde
SMILESCN1CNC=C1C=O
InChIInChI=1S/C5H8N2O/c1-7-4-6-2-5(7)3-8/h2-3,6H,4H2,1H3
InChIKeyRSEABPHZLJJJSQ-UHFFFAOYSA-N
XLogP-0.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.48
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-(difluoromethyl)-1-methyl-2H-imidazole-4-carbaldehyde
CID 164914683
(5-Formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite
CID 168982735
4-Formyl-1,3-dimethyl-1,3(2H)-dihydroimidazole-2-thione
CID 593497
3-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 45087282
2-Propenal, 3-(dimethylamino)-2-(methylamino)-
CID 5371636
1,2,3-trimethyl-2H-imidazole-4-carbaldehyde
CID 23026362
3-Bromo-2-ethoxy-1,2-dihydroimidazole-5-carbaldehyde
CID 87261781
2-(dimethylamino)-1,3-dimethyl-2H-imidazole-4-carbaldehyde
CID 87448690
1,3-bis(methylaminomethyl)-2H-triazole-4-carbaldehyde
CID 88152917
2,3-Dimethyl-1,2-dihydroimidazole-5-carbaldehyde
CID 88240919
2,2-Dimethyl-1,3-dihydroimidazole-4-carbaldehyde
CID 88970928

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-dihydroimidazole-4-carbaldehyde?
The IUPAC name of 3-methyl-1,2-dihydroimidazole-4-carbaldehyde (CID 143200931) is 3-methyl-1,2-dihydroimidazole-4-carbaldehyde.
What is the SMILES notation for 3-methyl-1,2-dihydroimidazole-4-carbaldehyde?
The canonical SMILES for 3-methyl-1,2-dihydroimidazole-4-carbaldehyde is CN1CNC=C1C=O.
What is the InChIKey of 3-methyl-1,2-dihydroimidazole-4-carbaldehyde?
The InChIKey is RSEABPHZLJJJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-4-6-2-5(7)3-8/h2-3,6H,4H2,1H3.
What are the key properties of 3-methyl-1,2-dihydroimidazole-4-carbaldehyde?
3-methyl-1,2-dihydroimidazole-4-carbaldehyde has a molecular weight of 112.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-dihydroimidazole-4-carbaldehyde is sourced from PubChem (CID 143200931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).