chempirical

Vince lactam

C6H7NOCAS 130931-83-8109.13 g/mol

Open in Covalent MOL file
ONH
Alkene

Properties

Molecular formula
C6H7NO
Molar mass
109.13 g/mol
Exact mass
109.0528 Da
Melting point
93–95 °C
logP
0.90Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
130931-83-8
SMILES
OC1=N[C@@H]2C=C[C@H]1C2
InChIKey
DDUFYKNOXPZZIW-CRCLSJGQSA-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+/m0/s1

Weigh it out

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

Names and synonyms

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

Work with Vince lactam

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

(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one49805-30-3100 % similar (-)-2-Azabicyclo[2.2.1]hept-5-en-3-one79200-56-9100 % similar 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia