1,4-Diazepan-5-one
Properties
- Molecular formula
- C5H10N2O
- Molar mass
- 114.15 g/mol
- Exact mass
- 114.0793 Da
- logP
- -0.90Crippen estimate
- Polar surface area
- 41.1 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed12.5% of notifiers
- H312 Harmful in contact with skin12.5% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled12.5% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
34376-54-0SMILES
C1CNCCNC1=OInChIKey
QPPLBCQXWDBQFS-UHFFFAOYSA-NInChI
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
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.
Similar compounds
4-Piperidinone41661-47-645 % similar
2,4-Piperidinedione50607-30-242 % similar
4-Piperidone hydrochloride41979-39-940 % similar
Piperazine adipate142-88-137 % similar
3-Pyrazolidinone hydrochloride1752-88-137 % similar
2,8-Diazaspiro(4.5)decan-3-one561314-57-637 % similar
Piperazine-2,3-dione13092-86-936 % similar
3-Pyrrolidinone96-42-436 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.