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

C₆H₇NOCAS 79200-56-9109.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₇NO
Molar mass: 109.13 g/mol
Exact mass: 109.0528 Da
Melting point: 94–95 °C
logP: 0.90Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0
Stereocentres: R, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H318 Causes serious eye damageSerious eye damage/eye irritation

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

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

79200-56-9

SMILES

OC1=N[C@H]2C=C[C@@H]1C2

InChIKey

DDUFYKNOXPZZIW-UHNVWZDZSA-N

InChI

InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m1/s1

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, (1R,4S)-
2-Azabicyclo[2.2.1]hept-5-en-3-one, (1R)-
(1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one
(1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
(1R,4S)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
(-)-Vince lactam

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 lactam130931-83-8Enantiomer (±)-2-Azabicyclo[2.2.1]hept-5-en-3-one49805-30-3Stereo not defined

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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