2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one

C13H12N2O2 — CID 82376842

IUPAC2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
SMILESO=C1Nc2cocc2NC1Cc1ccccc1
InChIInChI=1S/C13H12N2O2/c16-13-10(6-9-4-2-1-3-5-9)14-11-7-17-8-12(11)15-13/h1-5,7-8,10,14H,6H2,(H,15,16)
InChIKeyFCTQVBVMUCFBIB-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.25
Rot. Bonds2

About 2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one

2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one (PubChem CID 82376842) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
PubChem CID82376842
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
SMILESO=C1Nc2cocc2NC1Cc1ccccc1
InChIInChI=1S/C13H12N2O2/c16-13-10(6-9-4-2-1-3-5-9)14-11-7-17-8-12(11)15-13/h1-5,7-8,10,14H,6H2,(H,15,16)
InChIKeyFCTQVBVMUCFBIB-UHFFFAOYSA-N
XLogP2.25
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzylpiperazine-2,3,5-trione
CID 14446168
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 16660851
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376840
3-benzyl-8-fluoro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 54300452
methyl (2S)-2-benzyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate
CID 102354495
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
10,13-dibenzyl-3,9,12,15-tetrazatricyclo[14.4.0.03,7]icosa-1(20),16,18-triene-2,8,11,14-tetrone
CID 162815450
(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721
5-benzyl-2-prop-2-enyliminoimidazolidin-4-one
CID 136760003
(3R)-3-benzylpiperazine-2,5-dione
CID 928691

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The IUPAC name of 2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one (CID 82376842) is 2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one is O=C1Nc2cocc2NC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The InChIKey is FCTQVBVMUCFBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13-10(6-9-4-2-1-3-5-9)14-11-7-17-8-12(11)15-13/h1-5,7-8,10,14H,6H2,(H,15,16).
What are the key properties of 2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one has a molecular weight of 228.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one is sourced from PubChem (CID 82376842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).