5,6-di(cyclooctyl)-1H-pyrazin-2-one

C20H32N2O — CID 138645652

IUPAC5,6-di(cyclooctyl)-1H-pyrazin-2-one
SMILESO=c1cnc(C2CCCCCCC2)c(C2CCCCCCC2)[nH]1
InChIInChI=1S/C20H32N2O/c23-18-15-21-19(16-11-7-3-1-4-8-12-16)20(22-18)17-13-9-5-2-6-10-14-17/h15-17H,1-14H2,(H,22,23)
InChIKeyQSGCLZGRECPTSA-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.43
Rot. Bonds2

About 5,6-di(cyclooctyl)-1H-pyrazin-2-one

5,6-di(cyclooctyl)-1H-pyrazin-2-one (PubChem CID 138645652) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 5,6-di(cyclooctyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5,6-di(cyclooctyl)-1H-pyrazin-2-one
PubChem CID138645652
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name5,6-di(cyclooctyl)-1H-pyrazin-2-one
SMILESO=c1cnc(C2CCCCCCC2)c(C2CCCCCCC2)[nH]1
InChIInChI=1S/C20H32N2O/c23-18-15-21-19(16-11-7-3-1-4-8-12-16)20(22-18)17-13-9-5-2-6-10-14-17/h15-17H,1-14H2,(H,22,23)
InChIKeyQSGCLZGRECPTSA-UHFFFAOYSA-N
XLogP5.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(cyclooctyl)-1H-pyrazin-2-one?
The IUPAC name of 5,6-di(cyclooctyl)-1H-pyrazin-2-one (CID 138645652) is 5,6-di(cyclooctyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5,6-di(cyclooctyl)-1H-pyrazin-2-one?
The canonical SMILES for 5,6-di(cyclooctyl)-1H-pyrazin-2-one is O=c1cnc(C2CCCCCCC2)c(C2CCCCCCC2)[nH]1.
What is the InChIKey of 5,6-di(cyclooctyl)-1H-pyrazin-2-one?
The InChIKey is QSGCLZGRECPTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c23-18-15-21-19(16-11-7-3-1-4-8-12-16)20(22-18)17-13-9-5-2-6-10-14-17/h15-17H,1-14H2,(H,22,23).
What are the key properties of 5,6-di(cyclooctyl)-1H-pyrazin-2-one?
5,6-di(cyclooctyl)-1H-pyrazin-2-one has a molecular weight of 316.49 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(cyclooctyl)-1H-pyrazin-2-one is sourced from PubChem (CID 138645652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).