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2-(2-methyl-6,7-dihydrocyclopenta[e]indazol-8(2H)-ylidene)ethanamine

HCID 68698969
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cn1cc2c3c(ccc2n1)CCC3=CCN
InChIKey
AMZBATZXKLMISF-UHFFFAOYSA-N
Molecular formula
C13H15N3
Average molar mass
213.28 g/mol

Names & identifiers

Preferred name
2-(2-methyl-6,7-dihydrocyclopenta[e]indazol-8(2H)-ylidene)ethanamine
IUPAC
2-(2-methyl-6,7-dihydrocyclopenta[e]indazol-8-ylidene)ethanamine

Names & synonyms

SCHEMBL3575924AMZBATZXKLMISF-UHFFFAOYSA-N2-(2-methyl-6,7-dihydrocyclopenta[e]indazol-8(2H)-ylidene)ethanamine

Database identifiers

PubChem CID
68698969

Properties

Computed structural properties

XLogP
1
Topological polar surface area
43.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
300

Related reactions

4 records
New reaction record
HRID 105874 reaction equation
HRID 105874As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 799866 reaction equation
HRID 799866As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 887764 reaction equation
HRID 887764As productuspto-grants-2012_08
HRID 887799 reaction equation
HRID 887799As reactantuspto-grants-2012_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes