1,4-Diazepan-5-one

C₅H₁₀N₂OCAS 34376-54-0114.15 g/mol

Open in Covalent MOL file

Amide Lactam Secondary amine

Properties

Molecular formula: C₅H₁₀N₂O
Molar mass: 114.15 g/mol
Exact mass: 114.0793 Da
logP: -0.90Crippen estimate
Polar surface area: 41.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

34376-54-0

SMILES

C1CNCCNC1=O

InChIKey

QPPLBCQXWDBQFS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one

Work with 1,4-Diazepan-5-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,4-Diazepan-5-one hydrochloride208245-76-5Salt

Similar compounds

4-Piperidinone41661-47-645 % similar 4-Piperidone hydrochloride41979-39-940 % similar Piperazine adipate142-88-137 % similar 3-Pyrazolidinone hydrochloride1752-88-137 % similar Piperazine-2,3-dione13092-86-936 % similar 3-Pyrrolidinone96-42-436 % similar 4-Piperidone hydrochloride hydrate320589-77-336 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-835 % similar

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

Same formula

N-Nitrosopiperidine100-75-4 3-Amino-2-piperidinone1892-22-4 (3S)-3-Aminopiperidin-2-one34294-79-6 1-Methyl-3-oxopiperazine34770-60-0 (2R)-2-Pyrrolidinecarboxamide62937-45-5 L-Prolinamide7531-52-4 1-Piperazinecarboxaldehyde7755-92-2 1,3-Dimethyl-2-imidazolidinone80-73-9

Elsewhere

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