3-Methyl-9H-carbazole-9-carbaldehyde
PubChem CID: 10058925
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| Compound Synonyms | 3-Methyl-9H-carbazole-9-carbaldehyde, 3-methylcarbazole-9-carbaldehyde, 9-formyl-3-methylcarbazole, 3-Methyl-9H-carbazole-9-carboxaldehyde, 9-Formyl-3-methyl-9H-carbazole |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 22.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | O=Cncccccc6cc9cccc6))))))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Indoles and derivatives |
| Description | Alkaloid from the roots of Murraya koenigii (curryleaf tree). 3-Methyl-9H-carbazole-9-carboxaldehyde is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylcarbazole-9-carbaldehyde |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H11NO |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Inchi Key | ODQBPNZNDIOBFN-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 3-Methyl-9H-carbazole-9-carboxaldehyde, 9-Formyl-3-methyl-9H-carbazole, 9-Formyl-3-methylcarbazole, 9-formyl-3-methylcarbazole |
| Esol Class | Soluble |
| Functional Groups | cn(c)C=O |
| Compound Name | 3-Methyl-9H-carbazole-9-carbaldehyde |
| Kingdom | Organic compounds |
| Exact Mass | 209.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 209.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 209.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H11NO/c1-10-6-7-14-12(8-10)11-4-2-3-5-13(11)15(14)9-16/h2-9H,1H3 |
| Smiles | CC1=CC2=C(C=C1)N(C3=CC=CC=C32)C=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | N-acylcarbazoles |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006