1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C11H13NO — CID 86174740

IUPAC1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCC12CCC(Nc3ccccc31)O2
InChIInChI=1S/C11H13NO/c1-11-7-6-10(13-11)12-9-5-3-2-4-8(9)11/h2-5,10,12H,6-7H2,1H3
InChIKeyMZGDXHHGASXGRL-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.46
Rot. Bonds

About 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 86174740) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID86174740
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCC12CCC(Nc3ccccc31)O2
InChIInChI=1S/C11H13NO/c1-11-7-6-10(13-11)12-9-5-3-2-4-8(9)11/h2-5,10,12H,6-7H2,1H3
InChIKeyMZGDXHHGASXGRL-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene 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 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 86174740) is 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is CC12CCC(Nc3ccccc31)O2.
What is the InChIKey of 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is MZGDXHHGASXGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11-7-6-10(13-11)12-9-5-3-2-4-8(9)11/h2-5,10,12H,6-7H2,1H3.
What are the key properties of 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 175.23 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 86174740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).