2-pentyl-3-phenoxypyrazine

C15H18N2O — CID 528311

IUPAC2-pentyl-3-phenoxypyrazine
SMILESCCCCCc1nccnc1Oc1ccccc1
InChIInChI=1S/C15H18N2O/c1-2-3-5-10-14-15(17-12-11-16-14)18-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3
InChIKeyCVVZUDIKWBFQQX-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.00
Rot. Bonds6

About 2-pentyl-3-phenoxypyrazine

2-pentyl-3-phenoxypyrazine (PubChem CID 528311) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-pentyl-3-phenoxypyrazine.

Molecular Properties

Compound Name2-pentyl-3-phenoxypyrazine
PubChem CID528311
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-pentyl-3-phenoxypyrazine
SMILESCCCCCc1nccnc1Oc1ccccc1
InChIInChI=1S/C15H18N2O/c1-2-3-5-10-14-15(17-12-11-16-14)18-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3
InChIKeyCVVZUDIKWBFQQX-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-3-phenoxypyrazine?
The IUPAC name of 2-pentyl-3-phenoxypyrazine (CID 528311) is 2-pentyl-3-phenoxypyrazine.
What is the SMILES notation for 2-pentyl-3-phenoxypyrazine?
The canonical SMILES for 2-pentyl-3-phenoxypyrazine is CCCCCc1nccnc1Oc1ccccc1.
What is the InChIKey of 2-pentyl-3-phenoxypyrazine?
The InChIKey is CVVZUDIKWBFQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-3-5-10-14-15(17-12-11-16-14)18-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3.
What are the key properties of 2-pentyl-3-phenoxypyrazine?
2-pentyl-3-phenoxypyrazine has a molecular weight of 242.32 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-3-phenoxypyrazine is sourced from PubChem (CID 528311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).