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

C15H18N2O — CID 71106421

IUPAC2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine
SMILESCCC1=CC2(OCc3cnccn3)CC(=C1)C2C
InChIInChI=1S/C15H18N2O/c1-3-12-6-13-8-15(7-12,11(13)2)18-10-14-9-16-4-5-17-14/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyFPSSLSANJXIYLP-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.05
Rot. Bonds4

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

2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine (PubChem CID 71106421) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine.

Molecular Properties

Compound Name2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine
PubChem CID71106421
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine
SMILESCCC1=CC2(OCc3cnccn3)CC(=C1)C2C
InChIInChI=1S/C15H18N2O/c1-3-12-6-13-8-15(7-12,11(13)2)18-10-14-9-16-4-5-17-14/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyFPSSLSANJXIYLP-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine?
The IUPAC name of 2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine (CID 71106421) is 2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine.
What is the SMILES notation for 2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine?
The canonical SMILES for 2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine is CCC1=CC2(OCc3cnccn3)CC(=C1)C2C.
What is the InChIKey of 2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine?
The InChIKey is FPSSLSANJXIYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-12-6-13-8-15(7-12,11(13)2)18-10-14-9-16-4-5-17-14/h4-7,9,11H,3,8,10H2,1-2H3.
What are the key properties of 2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine?
2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine has a molecular weight of 242.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine is sourced from PubChem (CID 71106421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).