8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one

C17H17NO — CID 46930002

IUPAC8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
SMILESCN1C(=O)CCCc2ccccc2-c2ccccc21
InChIInChI=1S/C17H17NO/c1-18-16-11-5-4-10-15(16)14-9-3-2-7-13(14)8-6-12-17(18)19/h2-5,7,9-11H,6,8,12H2,1H3
InChIKeyNVFBZKANXSSOAL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.65
Rot. Bonds

About 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one

8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one (PubChem CID 46930002) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one.

Molecular Properties

Compound Name8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
PubChem CID46930002
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
SMILESCN1C(=O)CCCc2ccccc2-c2ccccc21
InChIInChI=1S/C17H17NO/c1-18-16-11-5-4-10-15(16)14-9-3-2-7-13(14)8-6-12-17(18)19/h2-5,7,9-11H,6,8,12H2,1H3
InChIKeyNVFBZKANXSSOAL-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one?
The IUPAC name of 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one (CID 46930002) is 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one.
What is the SMILES notation for 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one?
The canonical SMILES for 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one is CN1C(=O)CCCc2ccccc2-c2ccccc21.
What is the InChIKey of 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one?
The InChIKey is NVFBZKANXSSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-18-16-11-5-4-10-15(16)14-9-3-2-7-13(14)8-6-12-17(18)19/h2-5,7,9-11H,6,8,12H2,1H3.
What are the key properties of 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one?
8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one has a molecular weight of 251.33 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one is sourced from PubChem (CID 46930002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).