8-Fluoro-1,3,4,5-tetrahydro-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one

C₁₁H₉FN₂OCAS 1408282-26-7204.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₉FN₂O
Molar mass: 204.20 g/mol
Exact mass: 204.0699 Da
logP: 2.17Crippen estimate
Polar surface area: 48.4 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Identifiers

CAS number

1408282-26-7

SMILES

OC1=NCCc2c[nH]c3cc(F)cc1c23

InChIKey

XXKDRTXIEZBWPZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H9FN2O/c12-7-3-8-10-6(1-2-13-11(8)15)5-14-9(10)4-7/h3-5,14H,1-2H2,(H,13,15)

Weigh it out

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

Names and synonyms

1 names

6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one, 8-fluoro-1,3,4,5-tetrahydro-

Work with 8-Fluoro-1,3,4,5-tetrahydro-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-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

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

Same formula

2-(2-Fluorophenoxy)-3-pyridinamine175135-66-7

Elsewhere

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