6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7,9-tetraene-2,3-dione|4,4,6,8-Tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione|6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.0^{4,12...

General Information

Structure

Molecular Formula

C₁₅H₁₅NO₂

Molecular Mass

241.2851

Exact Mass

241.11027873

Charge

InChI

InChI=1S/C15H15NO2/c1-8-5-10-9(2)7-15(3,4)16-12(10)11(6-8)13(17)14(16)18/h5-7H,1-4H3

InChIKey

RDLYBUUOPNXVDW-UHFFFAOYSA-N

Canonic Smiles

Cc1cc2C(=CC(N3c2c(c1)C(=O)C3=O)(C)C)C

Isomeric Smiles

N12C(=O)C(=O)c3c1c(C(=CC2(C)C)C)cc(c3)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.6867204

LogD (pH = 7.4)

2.6867204

Log P

2.6867204

Molar Refractivity

70.8443

Polarizability

26.43706

Polar Surface Area

37.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4,4,6,8-Tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione

IUPAC name

6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7,9-tetraene-2,3-dione 6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7,9-tetraene-2,3-dione

IUPAC Traditional name

6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7,9-tetraene-2,3-dione 6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7,9-tetraene-2,3-dione

Names and Identifiers

Registration numbers

MDL Number

MFCD02738092

PubChem SID

162026401

PubChem CID

2912688

Registration numbers

Properties

Safety Information

TSCA Listed