9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane

C15H22N2O — CID 144649188

IUPAC9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane
SMILESCC.CC1CCn2c(=O)[nH]c3cccc(c32)C1C
InChIInChI=1S/C13H16N2O.C2H6/c1-8-6-7-15-12-10(9(8)2)4-3-5-11(12)14-13(15)16;1-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,16);1-2H3
InChIKeyHZIAQIQSPYMTAV-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.50
Rot. Bonds

About 9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane

9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane (PubChem CID 144649188) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane.

Molecular Properties

Compound Name9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane
PubChem CID144649188
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane
SMILESCC.CC1CCn2c(=O)[nH]c3cccc(c32)C1C
InChIInChI=1S/C13H16N2O.C2H6/c1-8-6-7-15-12-10(9(8)2)4-3-5-11(12)14-13(15)16;1-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,16);1-2H3
InChIKeyHZIAQIQSPYMTAV-UHFFFAOYSA-N
XLogP3.50
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane?
The IUPAC name of 9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane (CID 144649188) is 9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane.
What is the SMILES notation for 9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane?
The canonical SMILES for 9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane is CC.CC1CCn2c(=O)[nH]c3cccc(c32)C1C.
What is the InChIKey of 9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane?
The InChIKey is HZIAQIQSPYMTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C2H6/c1-8-6-7-15-12-10(9(8)2)4-3-5-11(12)14-13(15)16;1-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,16);1-2H3.
What are the key properties of 9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane?
9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane has a molecular weight of 246.35 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;ethane is sourced from PubChem (CID 144649188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).