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

C12H18N2O2 — CID 82392172

IUPAC1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone
SMILESCC(=O)N1c2ccoc2NCC1CC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)6-10-7-13-12-11(4-5-16-12)14(10)9(3)15/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyYHPZMMGABKJUGE-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.47
Rot. Bonds2

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

1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone (PubChem CID 82392172) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone
PubChem CID82392172
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone
SMILESCC(=O)N1c2ccoc2NCC1CC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)6-10-7-13-12-11(4-5-16-12)14(10)9(3)15/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyYHPZMMGABKJUGE-UHFFFAOYSA-N
XLogP2.47
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone?
The IUPAC name of 1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone (CID 82392172) is 1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone is CC(=O)N1c2ccoc2NCC1CC(C)C.
What is the InChIKey of 1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone?
The InChIKey is YHPZMMGABKJUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)6-10-7-13-12-11(4-5-16-12)14(10)9(3)15/h4-5,8,10,13H,6-7H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone?
1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone has a molecular weight of 222.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone is sourced from PubChem (CID 82392172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).