5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one

C15H26N2O — CID 134987037

IUPAC5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one
SMILESCCCCCCCCc1[nH]c(=O)c(C)nc1CC
InChIInChI=1S/C15H26N2O/c1-4-6-7-8-9-10-11-14-13(5-2)16-12(3)15(18)17-14/h4-11H2,1-3H3,(H,17,18)
InChIKeyRIRZJYDSUGACFC-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.54
Rot. Bonds8

About 5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one

5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one (PubChem CID 134987037) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one
PubChem CID134987037
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one
SMILESCCCCCCCCc1[nH]c(=O)c(C)nc1CC
InChIInChI=1S/C15H26N2O/c1-4-6-7-8-9-10-11-14-13(5-2)16-12(3)15(18)17-14/h4-11H2,1-3H3,(H,17,18)
InChIKeyRIRZJYDSUGACFC-UHFFFAOYSA-N
XLogP3.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one?
The IUPAC name of 5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one (CID 134987037) is 5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one?
The canonical SMILES for 5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one is CCCCCCCCc1[nH]c(=O)c(C)nc1CC.
What is the InChIKey of 5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one?
The InChIKey is RIRZJYDSUGACFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-7-8-9-10-11-14-13(5-2)16-12(3)15(18)17-14/h4-11H2,1-3H3,(H,17,18).
What are the key properties of 5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one?
5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one has a molecular weight of 250.39 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one is sourced from PubChem (CID 134987037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).