10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one

C16H11NO2 — CID 67595885

IUPAC10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one
SMILESCOc1ccccc1-c1c2c3ccccc3n1C2=O
InChIInChI=1S/C16H11NO2/c1-19-13-9-5-3-7-11(13)15-14-10-6-2-4-8-12(10)17(15)16(14)18/h2-9H,1H3
InChIKeyYDGVGMYUWMBWQC-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.32
Rot. Bonds2

About 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one

10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one (PubChem CID 67595885) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one.

Molecular Properties

Compound Name10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one
PubChem CID67595885
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one
SMILESCOc1ccccc1-c1c2c3ccccc3n1C2=O
InChIInChI=1S/C16H11NO2/c1-19-13-9-5-3-7-11(13)15-14-10-6-2-4-8-12(10)17(15)16(14)18/h2-9H,1H3
InChIKeyYDGVGMYUWMBWQC-UHFFFAOYSA-N
XLogP3.32
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-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 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one?
The IUPAC name of 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one (CID 67595885) is 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one.
What is the SMILES notation for 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one?
The canonical SMILES for 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one is COc1ccccc1-c1c2c3ccccc3n1C2=O.
What is the InChIKey of 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one?
The InChIKey is YDGVGMYUWMBWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c1-19-13-9-5-3-7-11(13)15-14-10-6-2-4-8-12(10)17(15)16(14)18/h2-9H,1H3.
What are the key properties of 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one?
10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one has a molecular weight of 249.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one is sourced from PubChem (CID 67595885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).