1,4-Diazepan-5-one hydrochloride

C₅H₁₁ClN₂OCAS 208245-76-5150.61 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₅H₁₁ClN₂O
Molar mass: 150.61 g/mol
Exact mass: 150.0560 Da
Melting point: 223–225 °C
logP: 0.36Crippen estimate
Polar surface area: 44.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

208245-76-5

SMILES

Cl.OC1=NCCNCC1

InChIKey

WOSZTROLFNNEIW-UHFFFAOYSA-N

InChI

InChI=1S/C5H10N2O.ClH/c8-5-1-2-6-3-4-7-5;/h6H,1-4H2,(H,7,8);1H

Weigh it out

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

Names and synonyms

2 names

5H-1,4-Diazepin-5-one, hexahydro-, hydrochloride (1:1)
5H-1,4-Diazepin-5-one, hexahydro-, monohydrochloride

Work with 1,4-Diazepan-5-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

Piperazinone5625-67-256 % similar 2-Azetidinone930-21-248 % similar 2-Pyrrolidone616-45-544 % similar 2-Piperidinone675-20-743 % similar Caprolactam105-60-241 % similar Octahydro-2H-azonin-2-one935-30-841 % similar Laurolactam947-04-641 % similar 4-Piperidone hydrochloride41979-39-938 % similar

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

Same formula

L-Prolinamide hydrochloride42429-27-6

Elsewhere

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