chempirical

3,5-Dimethyl-1H-pyrrole-2-carboxaldehyde

C7H9NOCAS 2199-58-8123.15 g/mol

Open in Covalent MOL file
NHO
Aldehyde

Properties

Molecular formula
C7H9NO
Molar mass
123.15 g/mol
Exact mass
123.0684 Da
logP
1.44Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
2199-58-8
SMILES
CC1=CC(=C(N1)C=O)C
InChIKey
RDFZYUOHJBXMJA-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c1-5-3-6(2)8-7(5)4-9/h3-4,8H,1-2H3

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Names and synonyms

1 names
  • 3,5-Dimethyl-1H-pyrrole-2-carbaldehyde

Work with 3,5-Dimethyl-1H-pyrrole-2-carboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,5-Trimethylbenzaldehyde5779-72-640 % similar 2,4,6-Trimethylbenzaldehyde487-68-339 % similar 2,6-Dimethyl-4-pyridinol13603-44-638 % similar Semaxinib204005-46-938 % similar 3,4-Dimethylbenzaldehyde5973-71-738 % similar 3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-336 % similar 2,6-Dimethylbenzaldehyde1123-56-435 % similar 2,4-Dimethylbenzaldehyde15764-16-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methoxy-4-methylpyridine100848-70-2 (5-Methylpyridin-3-yl)methanol102074-19-1 2-Pyridineethanol103-74-2 P-Anisidine104-94-9 2,6-Dimethylpyridine N-oxide1073-23-0 2,6-Dimethyl-3-pyridinol1122-43-6 6-Methyl-2-pyridinemethanol1122-71-0 2-Methoxy-5-picoline13472-56-5

Elsewhere

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