| Canonical Smiles | CC1(CN(C2=C1C=C(C=C2)Cl)C)C |
|---|---|
| IUPAC Name | 5-chloro-1,3,3-trimethyl-2H-indole |
| InChIKey | RKGXIVJAAXTXKD-UHFFFAOYSA-N |
| INCHI | 1S/C11H14ClN/c1-11(2)7-13(3)10-5-4-8(12)6-9(10)11/h4-6H,7H2,1-3H3 |
| Molecular Weight | 195.69 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles and derivatives |
| Alternative Parents | Dialkylarylamines Aralkylamines Benzenoids Aryl chlorides Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Tertiary amine - Azacycle - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. |
| External Descriptors | Not available |
| Molecular Weight | 195.690 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 195.081 Da |
| Monoisotopic Mass | 195.081 Da |
| Topological Polar Surface Area | 3.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 202.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
