TXU

N-methylmyosmine

Created: 2022-07-29
Last modified:  2023-07-26

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count6
2D diagram of TXU

Chemical Component Summary

NameN-methylmyosmine
Systematic Name (OpenEye OEToolkits)3-(1-methyl-2,3-dihydropyrrol-5-yl)pyridine
FormulaC10 H12 N2
Molecular Weight160.216
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CN1CCC=C1c1cnccc1
SMILESCACTVS3.385CN1CCC=C1c2cccnc2
SMILESOpenEye OEToolkits2.0.7CN1CCC=C1c2cccnc2
Canonical SMILESCACTVS3.385 CN1CCC=C1c2cccnc2
Canonical SMILESOpenEye OEToolkits2.0.7 CN1CCC=C1c2cccnc2
InChIInChI1.06 InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3
InChIKeyInChI1.06 TVKHGXPZBZKXFM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 4206586
ChEBI CHEBI:190393