2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one

C15H14N2O — CID 11118116

IUPAC2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one
SMILESO=C1NCCc2ccccc2Nc2ccccc21
InChIInChI=1S/C15H14N2O/c18-15-12-6-2-4-8-14(12)17-13-7-3-1-5-11(13)9-10-16-15/h1-8,17H,9-10H2,(H,16,18)
InChIKeyLMKZGVAERHZHLF-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.72
Rot. Bonds

About 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one

2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one (PubChem CID 11118116) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one.

Molecular Properties

Compound Name2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one
PubChem CID11118116
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one
SMILESO=C1NCCc2ccccc2Nc2ccccc21
InChIInChI=1S/C15H14N2O/c18-15-12-6-2-4-8-14(12)17-13-7-3-1-5-11(13)9-10-16-15/h1-8,17H,9-10H2,(H,16,18)
InChIKeyLMKZGVAERHZHLF-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one?
The IUPAC name of 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one (CID 11118116) is 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one.
What is the SMILES notation for 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one?
The canonical SMILES for 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one is O=C1NCCc2ccccc2Nc2ccccc21.
What is the InChIKey of 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one?
The InChIKey is LMKZGVAERHZHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15-12-6-2-4-8-14(12)17-13-7-3-1-5-11(13)9-10-16-15/h1-8,17H,9-10H2,(H,16,18).
What are the key properties of 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one?
2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one has a molecular weight of 238.29 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one is sourced from PubChem (CID 11118116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).