Summary

IMPPAT Phytochemical identifier: IMPHY013750

Phytochemical name: 1-Methylpyrrole

Synonymous chemical names:
1-methyl-1 h-pyrrole, 1-methyl-1h-pyrrole, 1-methylpyrrole, n-methylpyrrole

External chemical identifiers:
CID:7304, ChEMBL:CHEMBL1234459, ChEBI:89012, ZINC:ZINC000001692446, FDASRS:NG5GPN98ZG, SureChEMBL:SCHEMBL1381, MolPort-001-768-826

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Chemical structure information

SMILES:
Cn1cccc1

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

InChIKey:
OXHNLMTVIGZXSG-UHFFFAOYSA-N

DeepSMILES:
Cncccc5

Functional groups:
cn(c)C

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Molecular scaffolds

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

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

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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: -0.742

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Chemical structure download