2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one

C13H12N2O2 — CID 82377284

IUPAC2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one
SMILESCc1ccccc1C1Nc2ccoc2NC1=O
InChIInChI=1S/C13H12N2O2/c1-8-4-2-3-5-9(8)11-12(16)15-13-10(14-11)6-7-17-13/h2-7,11,14H,1H3,(H,15,16)
InChIKeyLWHZQJFQCQAIQQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.69
Rot. Bonds1

About 2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one

2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one (PubChem CID 82377284) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one
PubChem CID82377284
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one
SMILESCc1ccccc1C1Nc2ccoc2NC1=O
InChIInChI=1S/C13H12N2O2/c1-8-4-2-3-5-9(8)11-12(16)15-13-10(14-11)6-7-17-13/h2-7,11,14H,1H3,(H,15,16)
InChIKeyLWHZQJFQCQAIQQ-UHFFFAOYSA-N
XLogP2.69
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dimethylphenyl)imidazolidine-2,4-dione
CID 62871197
5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 67931396
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
(4R)-5,5-dimethyl-4-(2-methylphenyl)-1,3-oxazinan-2-one
CID 171188493
4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79960820
(5R)-5-(2-methylphenyl)pyrrolidin-2-one
CID 124706826
2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 125482464
(3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione
CID 51893600
6-(2-methylphenyl)-1,3-oxazinan-2-one
CID 69323043
4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione
CID 79418120
2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
CID 102201716
2-cyclobutyl-7-methylcyclohepta-2,4,6-trien-1-one
CID 157060822

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one?
The IUPAC name of 2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one (CID 82377284) is 2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one is Cc1ccccc1C1Nc2ccoc2NC1=O.
What is the InChIKey of 2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one?
The InChIKey is LWHZQJFQCQAIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8-4-2-3-5-9(8)11-12(16)15-13-10(14-11)6-7-17-13/h2-7,11,14H,1H3,(H,15,16).
What are the key properties of 2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one?
2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one has a molecular weight of 228.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one is sourced from PubChem (CID 82377284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).