5-Methyl-2-formylpyrrole
PubChem CID: 14508
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-Methyl-1H-pyrrole-2-carbaldehyde, 1192-79-6, 5-METHYLPYRROLE-2-CARBALDEHYDE, 1H-Pyrrole-2-carboxaldehyde, 5-methyl-, 5-METHYL-2-FORMYLPYRROLE, MFCD08236773, 2-formyl-5-methylpyrrole, C6H7NO, SP16VW48RI, NSC-81349, DTXSID50152341, NSC 81349, 5-METHYL-1H-PYRROLE-2-CARBOXALDEHYDE, UNII-SP16VW48RI, NSC81349, 5-Methyl-2-pyrrolaldehyde, SCHEMBL2818048, DTXCID1074832, 5-Methylpyrrole-2-carboxaldehyde, Pyrrole-2-carboxaldehyde, 5-methyl, BBL011859, CCG-40438, STL163414, AKOS000111984, 5-Methyl-1H-pyrrole-2-carbaldehyde #, AB43978, DS-17222, SY016074, DB-061547, CS-0038064, EN300-120127, 5-methyl-1H-pyrrole-2-carbaldehyde, AldrichCPR, Q27289321, Z1198176668, 822-709-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Pyrrole alkaloids |
| Deep Smiles | Ccccc[nH]5)C=O |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCNC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-1H-pyrrole-2-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H7NO |
| Scaffold Graph Node Bond Level | c1cc[nH]c1 |
| Inchi Key | LFWLUDLUCDRDAF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 5-methyl-1h-pyrrole-2-carboxaldehyde |
| Esol Class | Very soluble |
| Functional Groups | cC=O, c[nH]c |
| Compound Name | 5-Methyl-2-formylpyrrole |
| Exact Mass | 109.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 109.053 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 109.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3 |
| Smiles | CC1=CC=C(N1)C=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Proline alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1990.9697860