2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane

C18H34N2O — CID 142089836

IUPAC2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane
SMILESCC.CC.CC.CC1CNC2=C(C=CCC=C2)N(C)C1=O
InChIInChI=1S/C12H16N2O.3C2H6/c1-9-8-13-10-6-4-3-5-7-11(10)14(2)12(9)15;3*1-2/h4-7,9,13H,3,8H2,1-2H3;3*1-2H3
InChIKeyLOWRSDMWNUOGMV-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.49
Rot. Bonds

About 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane

2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane (PubChem CID 142089836) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane.

Molecular Properties

Compound Name2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane
PubChem CID142089836
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane
SMILESCC.CC.CC.CC1CNC2=C(C=CCC=C2)N(C)C1=O
InChIInChI=1S/C12H16N2O.3C2H6/c1-9-8-13-10-6-4-3-5-7-11(10)14(2)12(9)15;3*1-2/h4-7,9,13H,3,8H2,1-2H3;3*1-2H3
InChIKeyLOWRSDMWNUOGMV-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane?
The IUPAC name of 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane (CID 142089836) is 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane.
What is the SMILES notation for 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane?
The canonical SMILES for 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane is CC.CC.CC.CC1CNC2=C(C=CCC=C2)N(C)C1=O.
What is the InChIKey of 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane?
The InChIKey is LOWRSDMWNUOGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.3C2H6/c1-9-8-13-10-6-4-3-5-7-11(10)14(2)12(9)15;3*1-2/h4-7,9,13H,3,8H2,1-2H3;3*1-2H3.
What are the key properties of 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane?
2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane has a molecular weight of 294.48 g/mol, XLogP of 4.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane is sourced from PubChem (CID 142089836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).