9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione|9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(1...

General Information

Structure

Molecular Formula

C₁₄H₁₅NO₂

Molecular Mass

229.2744

Exact Mass

229.11027873

Charge

InChI

InChI=1S/C14H15NO2/c1-8-7-14(2,3)15-11-9(8)5-4-6-10(11)12(16)13(15)17/h4-6,8H,7H2,1-3H3

InChIKey

YKDZCUAXADGLRL-UHFFFAOYSA-N

Canonic Smiles

CC1CC(C)(C)N2c3c1cccc3C(=O)C2=O

Isomeric Smiles

N12C(=O)C(=O)c3c1c(C(CC2(C)C)C)ccc3

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2842376

LogD (pH = 7.4)

2.2842376

Log P

2.2842376

Molar Refractivity

65.1071

Polarizability

24.840826

Polar Surface Area

37.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

4,4,6-Trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]-quinoline-1,2-dione4,4,6-trimethyl-5,6-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-1,2(4H)-dione

Names and Identifiers

Registration numbers

MDL Number

MFCD08132794

PubChem SID

162026459

PubChem CID

16407646

Registration numbers

Properties