Borrerine

Compound Structure:

Synonyms:

Borrerine;51076-19-8;C09054;AC1L4BEE;CTK8I9488;2-methyl-1-(2-methylprop-1-enyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole; 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydo-2-methyl-1-(2-methyl-1-propenyl)-

Compound ID:

NMPC-686

PubChem ID:

182658

Molecular Formula:

C16H20N2

Canonical SMILES:

CC(=CC1C2=C(CCN1C)C3=CC=CC=C3N2)C

InChIKey:

RCNFEGDNDAQFRX-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Property Name	Property Value
Molecular Weight	240.34 g/mol
XLogP3-AA	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	240.162648646 g/mol
Monoisotopic Mass	240.162648646 g/mol
Topological Polar Surface Area	19Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	332
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1

Source: PubChem

Source Species:

Borreria verticillata.

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