chempirical

3,3-Dimethyl-1-pyridin-2-ylbutan-2-one

C11H15NOCAS 34552-04-0177.25 g/mol

Open in Covalent MOL file
ON
Ketone

Properties

Molecular formula
C11H15NO
Molar mass
177.25 g/mol
Exact mass
177.1154 Da
logP
2.24Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
34552-04-0
SMILES
CC(C)(C)C(=O)CC1=CC=CC=N1
InChIKey
BCCWJSAFGSJLPD-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO/c1-11(2,3)10(13)8-9-6-4-5-7-12-9/h4-7H,8H2,1-3H3

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Work with 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one

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

Methyl 2-pyridineacetate1658-42-058 % similar Ethyl 2-pyridylacetate2739-98-251 % similar 2-Pyridylacetic acid hydrochloride16179-97-850 % similar 2-Ethylpyridine100-71-045 % similar 3-(Pyridin-2-yl)propanoic acid15197-75-844 % similar 2-Propylpyridine622-39-943 % similar 1,3-Di(2-pyridyl)-1,3-propanedione10198-89-742 % similar 2-(Methoxymethyl)pyridine23579-92-242 % similar

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

Same formula

(3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-4 (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-8 2-(3-Methoxyphenyl)pyrrolidine103861-77-4 4-N-Butylbenzamide107377-07-1 4-(Diethylamino)benzaldehyde120-21-8 N,N-Diethylbenzamide1696-17-9 1-Propanol,2-methyl-2-[(phenylmethylene)amino]-22563-90-2 4-Phenoxypiperidine3202-33-3

Elsewhere

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