2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one hydrochloride

C₁₁H₁₉ClN₂OCAS 151257-01-1230.74 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₉ClN₂O
Molar mass: 230.74 g/mol
Exact mass: 230.1186 Da
logP: 2.44Crippen estimate
Polar surface area: 41.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

151257-01-1

SMILES

CCCCC1=NC(=O)C2(CCCC2)N1.Cl

InChIKey

WWRHZLCKSVQRBG-UHFFFAOYSA-N

InChI

InChI=1S/C11H18N2O.ClH/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11;/h2-8H2,1H3,(H,12,13,14);1H

Weigh it out

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

Names and synonyms

2 names

1,3-Diazaspiro[4.4]non-1-en-4-one, 2-butyl-, hydrochloride (1:1)
1,3-Diazaspiro[4.4]non-1-en-4-one, 2-butyl-, monohydrochloride

Work with 2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one hydrochloride

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

5-Nonanone502-56-733 % similar 2-Hexanone591-78-632 % similar 3-Heptanone106-35-431 % similar Valeric acid109-52-431 % similar 5-Dodecanone19780-10-031 % similar Valeric anhydride2082-59-931 % similar Pentanoyl chloride638-29-931 % similar

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

Elsewhere

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