Summary

IMPPAT Phytochemical identifier: IMPHY017039

Phytochemical name: 2-Methyl-1-nitrobutane

Synonymous chemical names:
2-methyl-1-nitro-butane

External chemical identifiers:
CID:12801409, SureChEMBL:SCHEMBL264872

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Chemical structure information

SMILES:
[O-][N+](=O)CC(CC)C

InChI:
InChI=1S/C5H11NO2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3

InChIKey:
NAURQXSCQKYEIC-UHFFFAOYSA-N

DeepSMILES:
[O-][N+]=O)CCCC))C

Functional groups:
C[N+](=O)[O-]

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic 1,3-dipolar compounds

ClassyFire Class: Allyl-type 1,3-dipolar organic compounds

ClassyFire Subclass: Organic nitro compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: -0.448

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Chemical structure download