n-Pentylpyrrole
PubChem CID: 557117
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| Compound Synonyms | 1H-Pyrrole, 1-pentyl-, N-pentylpyrrole, 1-pentylpyrrole, N-Amylpyrrole, 1-Amylpyrrole, Pyrrole, 1-pentyl-, I34JNN5ICH, UNII-I34JNN5ICH, 699-22-9, DTXSID40339588, N-n-pentylpyrrole, 1-Pentyl-1H-pyrrole #, SCHEMBL250676, DTXCID80290669, AKOS008965045 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 4.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | CCCCCncccc5 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Pyrroles |
| Scaffold Graph Node Level | C1CCNC1 |
| Classyfire Subclass | Substituted pyrroles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.8 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-pentylpyrrole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H15N |
| Scaffold Graph Node Bond Level | c1cc[nH]c1 |
| Inchi Key | VODBTJROPIJKCF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1h-pyrrole, 1-pentyl- |
| Esol Class | Highly soluble |
| Functional Groups | cn(c)C |
| Compound Name | n-Pentylpyrrole |
| Exact Mass | 137.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 137.12 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 137.22 |
| 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/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h5-6,8-9H,2-4,7H2,1H3 |
| Smiles | CCCCCN1C=CC=C1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517 - 2. Outgoing r'ship
FOUND_INto/from Coffea Canephora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517