ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione

C16H21NO2 — CID 91414984

IUPACethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione
SMILESCC.CC.CC1C2=C(C=CC2=O)NC2=C1C(=O)C=C2
InChIInChI=1S/C12H9NO2.2C2H6/c1-6-11-7(2-4-9(11)14)13-8-3-5-10(15)12(6)8;2*1-2/h2-6,13H,1H3;2*1-2H3
InChIKeyGGUCJGWDRLRVSM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.06
Rot. Bonds

About ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione

ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione (PubChem CID 91414984) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione.

Molecular Properties

Compound Nameethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione
PubChem CID91414984
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nameethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione
SMILESCC.CC.CC1C2=C(C=CC2=O)NC2=C1C(=O)C=C2
InChIInChI=1S/C12H9NO2.2C2H6/c1-6-11-7(2-4-9(11)14)13-8-3-5-10(15)12(6)8;2*1-2/h2-6,13H,1H3;2*1-2H3
InChIKeyGGUCJGWDRLRVSM-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4b,5,6,7,8,8a-hexahydrobiphenylene-1,4-dione
CID 12616638
tricyclo[6.2.1.02,7]undeca-2(7),4-diene-3,6,11-trione
CID 153284768
cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
ethane;naphthalene-1,4-dione
CID 54088717
bicyclo[2.2.1]heptane;3,4-dimethylpyrrole-2,5-dione
CID 67630482
5,6-dimethylcyclohex-2-ene-1,4-dione
CID 130037029
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
cyclohexa-2,5-diene-1,4-dione;ethane
CID 91596056
5-hydroxy-5-methylcyclohex-2-en-1-one
CID 89287800
tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one
CID 86169630
6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane
CID 155716963
(1S,6S)-6-fluoro-7-methyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CID 131190565

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione?
The IUPAC name of ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione (CID 91414984) is ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione.
What is the SMILES notation for ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione?
The canonical SMILES for ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione is CC.CC.CC1C2=C(C=CC2=O)NC2=C1C(=O)C=C2.
What is the InChIKey of ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione?
The InChIKey is GGUCJGWDRLRVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2.2C2H6/c1-6-11-7(2-4-9(11)14)13-8-3-5-10(15)12(6)8;2*1-2/h2-6,13H,1H3;2*1-2H3.
What are the key properties of ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione?
ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione has a molecular weight of 259.35 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene-6,10-dione is sourced from PubChem (CID 91414984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).