4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one

C18H22N2O — CID 3071085

IUPAC4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one
SMILESCN1CCc2c3n(c4ccccc24)C(=O)C(C)(C)CCC31
InChIInChI=1S/C18H22N2O/c1-18(2)10-8-15-16-13(9-11-19(15)3)12-6-4-5-7-14(12)20(16)17(18)21/h4-7,15H,8-11H2,1-3H3
InChIKeyTXCGQVDBXSSSAF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.63
Rot. Bonds

About 4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one

4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one (PubChem CID 3071085) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one.

Molecular Properties

Compound Name4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one
PubChem CID3071085
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one
SMILESCN1CCc2c3n(c4ccccc24)C(=O)C(C)(C)CCC31
InChIInChI=1S/C18H22N2O/c1-18(2)10-8-15-16-13(9-11-19(15)3)12-6-4-5-7-14(12)20(16)17(18)21/h4-7,15H,8-11H2,1-3H3
InChIKeyTXCGQVDBXSSSAF-UHFFFAOYSA-N
XLogP3.63
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one?
The IUPAC name of 4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one (CID 3071085) is 4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one.
What is the SMILES notation for 4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one?
The canonical SMILES for 4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one is CN1CCc2c3n(c4ccccc24)C(=O)C(C)(C)CCC31.
What is the InChIKey of 4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one?
The InChIKey is TXCGQVDBXSSSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2)10-8-15-16-13(9-11-19(15)3)12-6-4-5-7-14(12)20(16)17(18)21/h4-7,15H,8-11H2,1-3H3.
What are the key properties of 4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one?
4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one has a molecular weight of 282.39 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one is sourced from PubChem (CID 3071085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).