4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one

C17H22N2O — CID 135009159

IUPAC4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one
SMILESCC1(C)CC(=O)C2=C(C1)N1CCn3cccc3C1CC2
InChIInChI=1S/C17H22N2O/c1-17(2)10-15-12(16(20)11-17)5-6-14-13-4-3-7-18(13)8-9-19(14)15/h3-4,7,14H,5-6,8-11H2,1-2H3
InChIKeySBANICLVRFRARK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.28
Rot. Bonds

About 4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one

4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one (PubChem CID 135009159) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one.

Molecular Properties

Compound Name4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one
PubChem CID135009159
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one
SMILESCC1(C)CC(=O)C2=C(C1)N1CCn3cccc3C1CC2
InChIInChI=1S/C17H22N2O/c1-17(2)10-15-12(16(20)11-17)5-6-14-13-4-3-7-18(13)8-9-19(14)15/h3-4,7,14H,5-6,8-11H2,1-2H3
InChIKeySBANICLVRFRARK-UHFFFAOYSA-N
XLogP3.28
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one?
The IUPAC name of 4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one (CID 135009159) is 4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one.
What is the SMILES notation for 4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one?
The canonical SMILES for 4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one is CC1(C)CC(=O)C2=C(C1)N1CCn3cccc3C1CC2.
What is the InChIKey of 4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one?
The InChIKey is SBANICLVRFRARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2)10-15-12(16(20)11-17)5-6-14-13-4-3-7-18(13)8-9-19(14)15/h3-4,7,14H,5-6,8-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one?
4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one has a molecular weight of 270.38 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-trien-6-one is sourced from PubChem (CID 135009159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).