methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate

C16H23NO2 — CID 11832193

IUPACmethyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate
SMILESCOC(=O)c1ccc2nc1CCCCCCCCC2
InChIInChI=1S/C16H23NO2/c1-19-16(18)14-12-11-13-9-7-5-3-2-4-6-8-10-15(14)17-13/h11-12H,2-10H2,1H3
InChIKeyVHTKFRPYPASAFW-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.70
Rot. Bonds1

About methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate

methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate (PubChem CID 11832193) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate.

Molecular Properties

Compound Namemethyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate
PubChem CID11832193
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Namemethyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate
SMILESCOC(=O)c1ccc2nc1CCCCCCCCC2
InChIInChI=1S/C16H23NO2/c1-19-16(18)14-12-11-13-9-7-5-3-2-4-6-8-10-15(14)17-13/h11-12H,2-10H2,1H3
InChIKeyVHTKFRPYPASAFW-UHFFFAOYSA-N
XLogP3.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate 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 methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate?
The IUPAC name of methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate (CID 11832193) is methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate.
What is the SMILES notation for methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate?
The canonical SMILES for methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate is COC(=O)c1ccc2nc1CCCCCCCCC2.
What is the InChIKey of methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate?
The InChIKey is VHTKFRPYPASAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-16(18)14-12-11-13-9-7-5-3-2-4-6-8-10-15(14)17-13/h11-12H,2-10H2,1H3.
What are the key properties of methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate?
methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate has a molecular weight of 261.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-12-carboxylate is sourced from PubChem (CID 11832193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).