2-(Formylmethylene)-1,3,3-trimethylindoline

C₁₃H₁₅NOCAS 84-83-3201.27 g/mol

Open in Covalent MOL file

Aldehyde Alkene Tertiary amine

Properties

Molecular formula: C₁₃H₁₅NO
Molar mass: 201.27 g/mol
Exact mass: 201.1154 Da
Melting point: 117–118 °C
Boiling point: 170–172 °C (at 2 Torr)
logP: 2.50Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed93.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

84-83-3

SMILES

CN1C(=CC=O)C(C)(C)c2ccccc21

InChIKey

GCECACVNILMTRD-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all

Acetaldehyde, 2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-
Acetaldehyde, (1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-
δ2,α-Indolineacetaldehyde, 1,3,3-trimethyl-
δ2,α-Indolinacetaldehyde, 1,3,3-trimethyl-
2-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)acetaldehyde
1,3,3-Trimethyl-δ2,α-indolineacetaldehyde
1,3,3-Trimethyl-2-(formylmethylene)indoline
1,3,3-Trimethyl-2-methyleneindoline-ω-aldehyde
1,3,3-Trimethyl-2-(formylmethylene)-2,3-dihydroindole
(1,3,3-Trimethylindolin-2-ylidene)acetaldehyde
Fischer's aldehyde
2-(Formylmethylene)-2,3-dihydro-1,3,3-trimethylindole
NSC 68048
(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)acetaldehyde
2-(2,3-Dihydro-1,3,3-trimethyl-1H-indol-2-ylidene)acetaldehyde
2-(1,3,3-Trimethylindolin-2-ylidene)acetaldehyde
2-(1,3,3-Trimethyl-2,3-dihydro-1H-indol-2-ylidene)acetaldehyde
2-(1,3,3-Trimethylindol-2-ylidene)acetaldehyde
1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde

Work with 2-(Formylmethylene)-1,3,3-trimethylindoline

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

1,3,3-Trimethyl-2-methyleneindoline118-12-758 % similar Basic red 126320-14-552 % similar Basic yellow 2854060-92-340 % similar 5-Chloro-2-methylene-1,3,3-trimethylindoline6872-17-935 % similar 3-(Methylphenylamino)-2-propenal14189-82-333 % similar 1-Methylisatin2058-74-432 % similar 1-Methyl-1,3-dihydroindol-2-one61-70-132 % similar 2,3,3-Trimethylindolenine1640-39-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene2094-99-7 2-Vinyl-2-oxazoline-styrene copolymer27341-52-2 3-(4-tert-Butylphenyl)-3-oxopropanenitrile475270-04-3

Elsewhere

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