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Molecule
Lorcaserin
CAS: 616202-92-7 · C11H14ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 616202-92-7
- Molecular Formula
- C11H14ClN
- Molecular Mass
- 195.69 g/mol
Identifiers
CAS Registry Number
616202-92-7
SMILES
C[C@H]1CNCCc2ccc(Cl)cc21
InChI Key
XTTZERNUQAFMOF-QMMMGPOBSA-N
InChI
InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
Names and Synonyms
- Lorcaserin Synonym
- (1R)-8-Chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine Synonym
- 1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1R)- Synonym
- (R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine Synonym
- Lorcaserin Synonym
- Belviq Synonym
- (R)-Lorcaserin Synonym
- (R)-Lorcaserin Synonym
- (R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.69 g/mol | CAS Common Chemistry |
| 195.69299999999998 g/mol | RDKit | |
| 195.693 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C2C(=C1)C(C)CNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XTTZERNUQAFMOF-QMMMGPOBSA-N | CAS Common Chemistry |
| Name | Lorcaserin | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.589200000000001 | RDKit |
| 2.5892 | RDKit | |
| Molar Refractivity | 56.44070000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 195.081477128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 195.69 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H14ClN.
