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

C12H18N2O2 — CID 82392173

IUPAC1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone
SMILESCC(=O)N1c2cocc2NCC1CC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)4-10-5-13-11-6-16-7-12(11)14(10)9(3)15/h6-8,10,13H,4-5H2,1-3H3
InChIKeyUCDDXRBBIRAPJO-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.47
Rot. Bonds2

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

1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone (PubChem CID 82392173) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone
PubChem CID82392173
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone
SMILESCC(=O)N1c2cocc2NCC1CC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)4-10-5-13-11-6-16-7-12(11)14(10)9(3)15/h6-8,10,13H,4-5H2,1-3H3
InChIKeyUCDDXRBBIRAPJO-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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Related Compounds

1-(Furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one
CID 20589725
1-(Furan-3-yl)-5-methyl-3-(methylamino)azepan-2-one
CID 20589727
1-(Furan-3-yl)-6-methyl-3-(methylamino)azepan-2-one
CID 20589729
1-(Furan-3-yl)-2-(2-methylpropyl)piperazine
CID 59674821
N-(furan-3-yl)-N-piperidin-4-ylacetamide
CID 70038339
tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate
CID 71145360
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
CID 144268433
N-[4-(cyclopropylamino)furan-3-yl]-N-ethyl-2-methylpropanamide
CID 162779667
Tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate
CID 163213111
N-(furan-3-yl)-1-methylpiperidin-3-amine
CID 163213114

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone?
The IUPAC name of 1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone (CID 82392173) is 1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone?
The canonical SMILES for 1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone is CC(=O)N1c2cocc2NCC1CC(C)C.
What is the InChIKey of 1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone?
The InChIKey is UCDDXRBBIRAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)4-10-5-13-11-6-16-7-12(11)14(10)9(3)15/h6-8,10,13H,4-5H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone?
1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-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-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone is sourced from PubChem (CID 82392173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).