2-Azaspiro(4.5)decan-3-one

C₉H₁₅NOCAS 64744-50-9153.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₅NO
Molar mass: 153.22 g/mol
Exact mass: 153.1154 Da
Melting point: 84–89 °C
logP: 2.30Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

64744-50-9

SMILES

OC1=NCC2(CCCCC2)C1

InChIKey

JAWPQJDOQPSNIQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)

Weigh it out

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

Names and synonyms

3 names

2-Azaspiro[4.5]decan-3-one
Gabapentin-lactam
Gabapentin-lactams

Work with 2-Azaspiro(4.5)decan-3-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

Similar compounds

3-Azaspiro[5.5]undecane-2,4-dione1130-32-150 % similar Azaspirodecanedione1075-89-447 % similar 1,1-Dimethylethyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate169206-67-144 % similar Cyclohexanediacetic acid4355-11-740 % similar 1,1-Dimethylethyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate1234616-51-339 % similar 1,1-Cyclopentanediacetic acid16713-66-937 % similar Gabapentin enacarbil478296-72-935 % similar Gabapentin60142-96-334 % similar

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

Same formula

2-Azaspiro(4.5)decan-1-one1005-85-2 Trimethylphenylammonium hydroxide1899-02-1 Pseudopelletierine552-70-5 1-Morpholinocyclopentene936-52-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook