1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone

C14H20N2O2 — CID 82377257

IUPAC1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone
SMILESCC(=O)N1CC(C2CCCCC2)Nc2cocc21
InChIInChI=1S/C14H20N2O2/c1-10(17)16-7-12(11-5-3-2-4-6-11)15-13-8-18-9-14(13)16/h8-9,11-12,15H,2-7H2,1H3
InChIKeyJIOATCDEIULWAR-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.01
Rot. Bonds1

About 1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone

1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone (PubChem CID 82377257) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone
PubChem CID82377257
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone
SMILESCC(=O)N1CC(C2CCCCC2)Nc2cocc21
InChIInChI=1S/C14H20N2O2/c1-10(17)16-7-12(11-5-3-2-4-6-11)15-13-8-18-9-14(13)16/h8-9,11-12,15H,2-7H2,1H3
InChIKeyJIOATCDEIULWAR-UHFFFAOYSA-N
XLogP3.01
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone?
The IUPAC name of 1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone (CID 82377257) is 1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone.
What is the SMILES notation for 1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone?
The canonical SMILES for 1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone is CC(=O)N1CC(C2CCCCC2)Nc2cocc21.
What is the InChIKey of 1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone?
The InChIKey is JIOATCDEIULWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(17)16-7-12(11-5-3-2-4-6-11)15-13-8-18-9-14(13)16/h8-9,11-12,15H,2-7H2,1H3.
What are the key properties of 1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone?
1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone is sourced from PubChem (CID 82377257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).