2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione

C14H11NO2 — CID 123786016

IUPAC2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione
SMILESCc1cc(=O)c2cccc3c(=O)cc(C)n1c23
InChIInChI=1S/C14H11NO2/c1-8-6-12(16)10-4-3-5-11-13(17)7-9(2)15(8)14(10)11/h3-7H,1-2H3
InChIKeyLSTVRJDONLJCBX-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.87
Rot. Bonds

About 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione

2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione (PubChem CID 123786016) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione.

Molecular Properties

Compound Name2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione
PubChem CID123786016
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione
SMILESCc1cc(=O)c2cccc3c(=O)cc(C)n1c23
InChIInChI=1S/C14H11NO2/c1-8-6-12(16)10-4-3-5-11-13(17)7-9(2)15(8)14(10)11/h3-7H,1-2H3
InChIKeyLSTVRJDONLJCBX-UHFFFAOYSA-N
XLogP1.87
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione with MolForge

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Related Compounds

2-Heptyl-4-hydroxyquinoline
CID 164974
N-Methylacridone
CID 69751
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
1-Methyl-4-quinolone
CID 6748
2-Methylquinolin-4-ol
CID 69089
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-heptyl-4-hydroxyquinoline N-oxide
CID 1561
2-Undecyl-4(1H)-quinolone
CID 10063343
2-Methyl-acridone
CID 419818
2-Nonyl-4-hydroxyquinoline N-oxide
CID 130804
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590

Frequently Asked Questions

What is the IUPAC name of 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione?
The IUPAC name of 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione (CID 123786016) is 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione.
What is the SMILES notation for 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione?
The canonical SMILES for 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione is Cc1cc(=O)c2cccc3c(=O)cc(C)n1c23.
What is the InChIKey of 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione?
The InChIKey is LSTVRJDONLJCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-8-6-12(16)10-4-3-5-11-13(17)7-9(2)15(8)14(10)11/h3-7H,1-2H3.
What are the key properties of 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione?
2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione has a molecular weight of 225.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-4,10-dione is sourced from PubChem (CID 123786016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).