Summary

IMPPAT Phytochemical identifier: IMPHY016279

Phytochemical name: 2-Methyl-1H-pyrrole

Synonymous chemical names:
2-methylpyrrole

External chemical identifiers:
CID:12489, ZINC:ZINC000001574399, FDASRS:486RY4814O, SureChEMBL:SCHEMBL47202, MolPort-001-780-330

---

Chemical structure information

SMILES:
Cc1ccc[nH]1

InChI:
InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3

InChIKey:
TVCXVUHHCUYLGX-UHFFFAOYSA-N

DeepSMILES:
Ccccc[nH]5

Functional groups:
c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc[nH]c1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrroles

ClassyFire Subclass: Substituted pyrroles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -0.698

---

Chemical structure download