Pindone

C₁₄H₁₄O₃CAS 83-26-1230.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄O₃
Molar mass: 230.26 g/mol
Exact mass: 230.0943 Da
Density: 1.06 g/mL
Melting point: 108.5–110.5 °C
Boiling point: 180 °C (at 1 Torr)
logP: 2.30Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

83-26-1

SMILES

CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O

InChIKey

RZKYEQDPDZUERB-UHFFFAOYSA-N

InChI

InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3

Weigh it out

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

Names and synonyms

15 names · show all

1H-Indene-1,3(2H)-dione, 2-(2,2-dimethyl-1-oxopropyl)-
1,3-Indandione, 2-pivaloyl-
2-(2,2-Dimethyl-1-oxopropyl)-1H-indene-1,3(2H)-dione
2-Pivaloyl-1,3-indandione
2-Pivaloylindane-1,3-dione
2-Pivalyl-1,3-indandione
Pivalylindandione
Pivalyl valone
Pivalyl
Pival
2-(Trimethylacetyl)-1,3-indandione
Pivalylindan-1,3-dione
NSC 31211
NSC 6281
Pivaldione

Work with Pindone

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-Benzoyl-1H-indene-1,3(2H)-dione1785-95-150 % similar Diphenadione82-66-644 % similar Phenindione83-12-542 % similar 2,2-Dimethyl-1-phenyl-1-propanone938-16-938 % similar 1,1-Dichloro-3,3-dimethyl-2-butanone22591-21-538 % similar Chlorophacinone3691-35-837 % similar Phthalimidopropiophenone19437-20-837 % similar 10,10-Dimethyl-9(10H)-anthracenone5447-86-936 % similar

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

Same formula

Demethylsuberosin21422-04-8 Naproxen22204-53-1 (R)-Naproxen23979-41-1 (±)-Naproxen23981-80-8 (±)-Naproxen26159-31-9 5,6-Dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one3155-48-4 Kavain500-64-1

Elsewhere

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