7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one

C16H16N2O — CID 91149332

IUPAC7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one
SMILESCN1C(=O)N(C)c2ccc(cc2)Cc2ccc1cc2
InChIInChI=1S/C16H16N2O/c1-17-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)18(2)16(17)19/h3-10H,11H2,1-2H3
InChIKeyFOPPMMFREHTFAI-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.28
Rot. Bonds

About 7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one

7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one (PubChem CID 91149332) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one.

Molecular Properties

Compound Name7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one
PubChem CID91149332
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one
SMILESCN1C(=O)N(C)c2ccc(cc2)Cc2ccc1cc2
InChIInChI=1S/C16H16N2O/c1-17-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)18(2)16(17)19/h3-10H,11H2,1-2H3
InChIKeyFOPPMMFREHTFAI-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one?
The IUPAC name of 7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one (CID 91149332) is 7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one.
What is the SMILES notation for 7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one?
The canonical SMILES for 7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one is CN1C(=O)N(C)c2ccc(cc2)Cc2ccc1cc2.
What is the InChIKey of 7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one?
The InChIKey is FOPPMMFREHTFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-17-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)18(2)16(17)19/h3-10H,11H2,1-2H3.
What are the key properties of 7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one?
7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one has a molecular weight of 252.32 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one is sourced from PubChem (CID 91149332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).