12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one

C19H22N2O — CID 10517906

IUPAC12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
SMILESCCC1(CC)CNC(=O)Nc2ccccc2-c2ccccc21
InChIInChI=1S/C19H22N2O/c1-3-19(4-2)13-20-18(22)21-17-12-8-6-10-15(17)14-9-5-7-11-16(14)19/h5-12H,3-4,13H2,1-2H3,(H2,20,21,22)
InChIKeyWROLMFFQFILTFD-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.55
Rot. Bonds2

About 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one

12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one (PubChem CID 10517906) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one.

Molecular Properties

Compound Name12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
PubChem CID10517906
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
SMILESCCC1(CC)CNC(=O)Nc2ccccc2-c2ccccc21
InChIInChI=1S/C19H22N2O/c1-3-19(4-2)13-20-18(22)21-17-12-8-6-10-15(17)14-9-5-7-11-16(14)19/h5-12H,3-4,13H2,1-2H3,(H2,20,21,22)
InChIKeyWROLMFFQFILTFD-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one?
The IUPAC name of 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one (CID 10517906) is 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one.
What is the SMILES notation for 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one?
The canonical SMILES for 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one is CCC1(CC)CNC(=O)Nc2ccccc2-c2ccccc21.
What is the InChIKey of 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one?
The InChIKey is WROLMFFQFILTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-19(4-2)13-20-18(22)21-17-12-8-6-10-15(17)14-9-5-7-11-16(14)19/h5-12H,3-4,13H2,1-2H3,(H2,20,21,22).
What are the key properties of 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one?
12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one has a molecular weight of 294.40 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-diethyl-8,10-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one is sourced from PubChem (CID 10517906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).