2-methoxy-3-methyl-9H-carbazole
PubChem CID: 11052947
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| Compound Synonyms | 2-methoxy-3-methyl-9H-carbazole, 24224-28-0, 2-methoxy-3-methylcarbazole, 9H-Carbazole, 2-methoxy-3-methyl-, MLS000863588, MEGxp0_001489, SCHEMBL4143973, CHEMBL1501672, ACon1_002035, CHEBI:125206, DTXSID901310471, HMS2269H03, SMR000440764, H27281, BRD-K34079378-001-01-1, Q27215553 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | COccc[nH]ccc5cc9C))))cccc6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Indoles and derivatives |
| Description | Alkaloid from the seeds of Murraya koenigii (curryleaf tree). 2-Methoxy-3-methyl-9H-carbazole is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 255.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-3-methyl-9H-carbazole |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H13NO |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Inchi Key | XYYYPIAQQFQTAN-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 2-Methoxy-3-methyl-9H-carbazole, 2-Methoxy-3-methylcarbazole, 2-methoxy-3-methylcarbazole |
| Esol Class | Moderately soluble |
| Functional Groups | cOC, c[nH]c |
| Compound Name | 2-methoxy-3-methyl-9H-carbazole |
| Kingdom | Organic compounds |
| Exact Mass | 211.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.1 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 211.26 |
| 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/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-13(11)8-14(9)16-2/h3-8,15H,1-2H3 |
| Smiles | CC1=CC2=C(C=C1OC)NC3=CC=CC=C32 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Carbazoles |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9788185042138