9UL

(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole

Created:2018-08-06
Last modified:  2018-12-19

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count31
Aromatic Bond Count6
2D diagram of 9UL

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Chemical Component Summary

Name(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole
Systematic Name (OpenEye OEToolkits)(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole
FormulaC13 H14 N2
Molecular Weight198.264
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1CCCC1=C2C=Nc3ccccc23
SMILESOpenEye OEToolkits2.0.6CN1CCCC1=C2C=Nc3c2cccc3
Canonical SMILESCACTVS3.385 CN\1CCCC\1=C\2C=Nc3ccccc\23
Canonical SMILESOpenEye OEToolkits2.0.6 CN\1CCC/C1=C\2/C=Nc3c2cccc3
InChIInChI1.03 InChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11+
InChIKeyInChI1.03 HNNADWWHLOZSTI-ACCUITESSA-N

Related Resource References

Resource NameReference
PubChem 12932187
CCDC/CSD RUGQUG
COD 2224435