6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde

C14H17NO2 — CID 820259

IUPAC6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde
SMILESCOc1c(C=O)cc2c3c1CCCN3CCC2
InChIInChI=1S/C14H17NO2/c1-17-14-11(9-16)8-10-4-2-6-15-7-3-5-12(14)13(10)15/h8-9H,2-7H2,1H3
InChIKeyIUBIQSNHMJUCRI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.21
Rot. Bonds2

About 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde

6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde (PubChem CID 820259) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde
PubChem CID820259
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde
SMILESCOc1c(C=O)cc2c3c1CCCN3CCC2
InChIInChI=1S/C14H17NO2/c1-17-14-11(9-16)8-10-4-2-6-15-7-3-5-12(14)13(10)15/h8-9H,2-7H2,1H3
InChIKeyIUBIQSNHMJUCRI-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde 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 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde?
The IUPAC name of 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde (CID 820259) is 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde.
What is the SMILES notation for 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde?
The canonical SMILES for 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde is COc1c(C=O)cc2c3c1CCCN3CCC2.
What is the InChIKey of 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde?
The InChIKey is IUBIQSNHMJUCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-14-11(9-16)8-10-4-2-6-15-7-3-5-12(14)13(10)15/h8-9H,2-7H2,1H3.
What are the key properties of 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde?
6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde has a molecular weight of 231.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde is sourced from PubChem (CID 820259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).