11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one

C17H19NO — CID 59827920

IUPAC11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
SMILESCC(C)(C)N1CC2CC23C1=CC(=O)c1ccccc13
InChIInChI=1S/C17H19NO/c1-16(2,3)18-10-11-9-17(11)13-7-5-4-6-12(13)14(19)8-15(17)18/h4-8,11H,9-10H2,1-3H3
InChIKeyBKHRJAUZVQSCQN-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.14
Rot. Bonds

About 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one

11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one (PubChem CID 59827920) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one.

Molecular Properties

Compound Name11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
PubChem CID59827920
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
SMILESCC(C)(C)N1CC2CC23C1=CC(=O)c1ccccc13
InChIInChI=1S/C17H19NO/c1-16(2,3)18-10-11-9-17(11)13-7-5-4-6-12(13)14(19)8-15(17)18/h4-8,11H,9-10H2,1-3H3
InChIKeyBKHRJAUZVQSCQN-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
The IUPAC name of 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one (CID 59827920) is 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one.
What is the SMILES notation for 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
The canonical SMILES for 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one is CC(C)(C)N1CC2CC23C1=CC(=O)c1ccccc13.
What is the InChIKey of 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
The InChIKey is BKHRJAUZVQSCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-16(2,3)18-10-11-9-17(11)13-7-5-4-6-12(13)14(19)8-15(17)18/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one has a molecular weight of 253.34 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one is sourced from PubChem (CID 59827920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).