Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007207

Phytochemical name: 1H-Pyrrole, 1-pentyl-

Synonymous chemical names:
1h-pyrrole, 1-pentyl-

External chemical identifiers:
CID:CID_557117, FDASRS:I34JNN5ICH, SureChEMBL:SCHEMBL250676

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Chemical structure information

SMILES:
CCCCCn1cccc1

InChI:
InChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h5-6,8-9H,2-4,7H2,1H3

InChIKey:
VODBTJROPIJKCF-UHFFFAOYSA-N

DeepSMILES:
CCCCCncccc5

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-Likeness score: -0.906

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Chemical structure download