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

C20H19NO2 — CID 2927361

IUPAC9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione
SMILESCC1(c2ccccc2)CC(C)(C)N2C(=O)C(=O)c3cccc1c32
InChIInChI=1S/C20H19NO2/c1-19(2)12-20(3,13-8-5-4-6-9-13)15-11-7-10-14-16(15)21(19)18(23)17(14)22/h4-11H,12H2,1-3H3
InChIKeyDHDFJDUZCZOELC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.70
Rot. Bonds1

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

9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione (PubChem CID 2927361) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione.

Molecular Properties

Compound Name9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione
PubChem CID2927361
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione
SMILESCC1(c2ccccc2)CC(C)(C)N2C(=O)C(=O)c3cccc1c32
InChIInChI=1S/C20H19NO2/c1-19(2)12-20(3,13-8-5-4-6-9-13)15-11-7-10-14-16(15)21(19)18(23)17(14)22/h4-11H,12H2,1-3H3
InChIKeyDHDFJDUZCZOELC-UHFFFAOYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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1,7-dimethyl-1H-indole-2,3-dione
CID 4730265
4,4,6-Trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
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N-Benzoylisatin
CID 34200
7-ethyl-2,3-dihydro-1H-indole-2,3-dione
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CID 42628986

Frequently Asked Questions

What is the IUPAC name of 9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione?
The IUPAC name of 9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione (CID 2927361) is 9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione.
What is the SMILES notation for 9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione?
The canonical SMILES for 9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione is CC1(c2ccccc2)CC(C)(C)N2C(=O)C(=O)c3cccc1c32.
What is the InChIKey of 9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione?
The InChIKey is DHDFJDUZCZOELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-19(2)12-20(3,13-8-5-4-6-9-13)15-11-7-10-14-16(15)21(19)18(23)17(14)22/h4-11H,12H2,1-3H3.
What are the key properties of 9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione?
9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione has a molecular weight of 305.38 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione is sourced from PubChem (CID 2927361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).