chempirical

(-)-Vasicine

C11H12N2OCAS 6159-55-3188.23 g/mol

Open in Covalent MOL file
OHNN
AlcoholAmidine

Properties

Molecular formula
C11H12N2O
Molar mass
188.23 g/mol
Exact mass
188.0950 Da
Melting point
190–191 °C (decomposes)
logP
1.30Crippen estimate
Polar surface area
35.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
6159-55-3
SMILES
O[C@H]1CCN2Cc3ccccc3N=C12
InChIKey
YIICVSCAKJMMDJ-JTQLQIEISA-N
InChI
InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • Pyrrolo[2,1-b]quinazolin-3-ol, 1,2,3,9-tetrahydro-, (3S)-
  • Pyrrolo[2,1-b]quinazolin-3-ol, 1,2,3,9-tetrahydro-, (S)-
  • Vasicine
  • (3S)-1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol
  • l-Peganine
  • Linarine, (-)-
  • Peganine
  • (-)-Peganine
  • Peganine, (-)-
  • l-Vasicine
  • (-)-Linarine
  • Peganin

Work with (-)-Vasicine

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

Oxindole59-48-338 % similar 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one86499-96-937 % similar 11H-Dibenzo[B,E]azepine-6-carbonitrile80012-69-732 % similar (R)-2-Hydroxy-4-phenylbutyric acid29678-81-730 % similar 1-Benzoylpiperidine-4-carboxylic acid5274-99-730 % similar

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

Same formula

(1-Benzyl-1H-imidazol-2-yl)methanol5376-10-3 Antipyrine60-80-0 1-p-Tolyl-3-methyl-5-pyrazolone86-92-0 3-[(4-Formylphenyl)methylamino]propanenitrile94-21-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook