2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine

C14H16N2O — CID 90278772

IUPAC2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine
SMILESCC1=CC2(OCc3cnccn3)CC(=C1)C2C
InChIInChI=1S/C14H16N2O/c1-10-5-12-7-14(6-10,11(12)2)17-9-13-8-15-3-4-16-13/h3-6,8,11H,7,9H2,1-2H3
InChIKeyAOIYVDXKTGBMLN-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.66
Rot. Bonds3

About 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine

2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine (PubChem CID 90278772) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine.

Molecular Properties

Compound Name2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine
PubChem CID90278772
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine
SMILESCC1=CC2(OCc3cnccn3)CC(=C1)C2C
InChIInChI=1S/C14H16N2O/c1-10-5-12-7-14(6-10,11(12)2)17-9-13-8-15-3-4-16-13/h3-6,8,11H,7,9H2,1-2H3
InChIKeyAOIYVDXKTGBMLN-UHFFFAOYSA-N
XLogP2.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine 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 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine?
The IUPAC name of 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine (CID 90278772) is 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine.
What is the SMILES notation for 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine?
The canonical SMILES for 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine is CC1=CC2(OCc3cnccn3)CC(=C1)C2C.
What is the InChIKey of 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine?
The InChIKey is AOIYVDXKTGBMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-5-12-7-14(6-10,11(12)2)17-9-13-8-15-3-4-16-13/h3-6,8,11H,7,9H2,1-2H3.
What are the key properties of 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine?
2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine has a molecular weight of 228.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine is sourced from PubChem (CID 90278772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).