8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one

C16H16N2O — CID 91873637

IUPAC8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one
SMILESO=C1NCc2ccc(cc2)Cc2ccc(cc2)CN1
InChIInChI=1S/C16H16N2O/c19-16-17-10-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)11-18-16/h1-8H,9-11H2,(H2,17,18,19)
InChIKeyGTMGLCPYRFCMHV-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.59
Rot. Bonds

About 8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one

8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one (PubChem CID 91873637) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one.

Molecular Properties

Compound Name8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one
PubChem CID91873637
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one
SMILESO=C1NCc2ccc(cc2)Cc2ccc(cc2)CN1
InChIInChI=1S/C16H16N2O/c19-16-17-10-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)11-18-16/h1-8H,9-11H2,(H2,17,18,19)
InChIKeyGTMGLCPYRFCMHV-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one?
The IUPAC name of 8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one (CID 91873637) is 8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one.
What is the SMILES notation for 8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one?
The canonical SMILES for 8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one is O=C1NCc2ccc(cc2)Cc2ccc(cc2)CN1.
What is the InChIKey of 8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one?
The InChIKey is GTMGLCPYRFCMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16-17-10-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)11-18-16/h1-8H,9-11H2,(H2,17,18,19).
What are the key properties of 8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one?
8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one has a molecular weight of 252.32 g/mol, XLogP of 2.59, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diazatricyclo[10.2.2.23,6]octadeca-1(14),3(18),4,6(17),12,15-hexaen-9-one is sourced from PubChem (CID 91873637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).