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

C13H20N2O2 — CID 82377256

IUPAC1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone
SMILESCCC(CC)C1CN(C(C)=O)c2cocc2N1
InChIInChI=1S/C13H20N2O2/c1-4-10(5-2)11-6-15(9(3)16)13-8-17-7-12(13)14-11/h7-8,10-11,14H,4-6H2,1-3H3
InChIKeyFGGZAGJGSZQBPC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.86
Rot. Bonds3

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

1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone (PubChem CID 82377256) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone
PubChem CID82377256
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone
SMILESCCC(CC)C1CN(C(C)=O)c2cocc2N1
InChIInChI=1S/C13H20N2O2/c1-4-10(5-2)11-6-15(9(3)16)13-8-17-7-12(13)14-11/h7-8,10-11,14H,4-6H2,1-3H3
InChIKeyFGGZAGJGSZQBPC-UHFFFAOYSA-N
XLogP2.86
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone with MolForge

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Related Compounds

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1-(Furan-3-yl)-6-methyl-3-(methylamino)azepan-2-one
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1-(Furan-3-yl)-2-(2-methylpropyl)piperazine
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N-(furan-3-yl)-N-piperidin-4-ylacetamide
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2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 92546001
1-(Furan-3-yl)piperazin-2-one
CID 131062759
ethane;N-methyl-N-[4-(methylamino)furan-3-yl]prop-2-enamide
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N-[4-(cyclopropylamino)furan-3-yl]-N-ethyl-2-methylpropanamide
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Tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate
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N-(furan-3-yl)-1-methylpiperidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone?
The IUPAC name of 1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone (CID 82377256) is 1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone.
What is the SMILES notation for 1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone?
The canonical SMILES for 1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone is CCC(CC)C1CN(C(C)=O)c2cocc2N1.
What is the InChIKey of 1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone?
The InChIKey is FGGZAGJGSZQBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10(5-2)11-6-15(9(3)16)13-8-17-7-12(13)14-11/h7-8,10-11,14H,4-6H2,1-3H3.
What are the key properties of 1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone?
1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone is sourced from PubChem (CID 82377256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).