(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one

C₆H₇NOCAS 49805-30-3109.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₇NO
Molar mass: 109.13 g/mol
Exact mass: 109.0528 Da
Melting point: 50 °C
logP: 0.90Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

49805-30-3

SMILES

OC1=NC2C=CC1C2

InChIKey

DDUFYKNOXPZZIW-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)

Weigh it out

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

Names and synonyms

6 names

2-Azabicyclo[2.2.1]hept-5-en-3-one
(±)-Vince lactam
Vince lactam
rac-Vince lactam
3-Azabicyclo[2.2.1]hept-5-en-2-one
2-Azabicyclo(2.2.1)hept-5-en-3-one

Work with (±)-2-Azabicyclo[2.2.1]hept-5-en-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

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.

Vince lactam130931-83-8Defined stereoisomer (-)-2-Azabicyclo[2.2.1]hept-5-en-3-one79200-56-9Defined stereoisomer

Similar compounds

3a,4,7,7a-Tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione3647-74-331 % similar

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

Same formula

2-Hydroxy-3-methylpyridine1003-56-1 4-Methylpyridine N-oxide1003-67-4 2-Hydroxy-5-methylpyridine1003-68-5 3-Methylpyridine N-oxide1003-73-2 3-Pyridinemethanol100-55-0 Phenylhydroxylamine100-65-2 3-Acetylpyrrole1072-82-8 2-Acetylpyrrole1072-83-9

Elsewhere

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