tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate

C17H23NO2 — CID 71188473

IUPACtert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
SMILESCC1C(C)C2c3ccccc3C1N2C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO2/c1-10-11(2)15-13-9-7-6-8-12(13)14(10)18(15)16(19)20-17(3,4)5/h6-11,14-15H,1-5H3
InChIKeyHKFPEYIGERHZCX-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.31
Rot. Bonds

About tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate

tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate (PubChem CID 71188473) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate.

Molecular Properties

Compound Nametert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
PubChem CID71188473
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nametert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
SMILESCC1C(C)C2c3ccccc3C1N2C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO2/c1-10-11(2)15-13-9-7-6-8-12(13)14(10)18(15)16(19)20-17(3,4)5/h6-11,14-15H,1-5H3
InChIKeyHKFPEYIGERHZCX-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate?
The IUPAC name of tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate (CID 71188473) is tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate.
What is the SMILES notation for tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate?
The canonical SMILES for tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate is CC1C(C)C2c3ccccc3C1N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate?
The InChIKey is HKFPEYIGERHZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10-11(2)15-13-9-7-6-8-12(13)14(10)18(15)16(19)20-17(3,4)5/h6-11,14-15H,1-5H3.
What are the key properties of tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate?
tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate is sourced from PubChem (CID 71188473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).