2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid

C11H10N2O4 — CID 91000148

IUPAC2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid
SMILESCc1c(-c2ccco2)ncc(=O)n1CC(=O)O
InChIInChI=1S/C11H10N2O4/c1-7-11(8-3-2-4-17-8)12-5-9(14)13(7)6-10(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyJJLRPVXFZPFWCB-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.90
Rot. Bonds3

About 2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid

2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid (PubChem CID 91000148) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid
PubChem CID91000148
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid
SMILESCc1c(-c2ccco2)ncc(=O)n1CC(=O)O
InChIInChI=1S/C11H10N2O4/c1-7-11(8-3-2-4-17-8)12-5-9(14)13(7)6-10(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyJJLRPVXFZPFWCB-UHFFFAOYSA-N
XLogP0.90
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid
CID 83701220
ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate
CID 2816996
2-[5-(2,6-difluoro-4-methoxyphenyl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid
CID 74249371
2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid
CID 118709996
2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 4713572
3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid
CID 167839702
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-methylacetamide
CID 6404295
3-(1-ethyl-2-methylindole-3-carbonyl)-5,6-bis(furan-2-yl)pyrazine-2-carboxylic acid
CID 70353839
1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one
CID 123906460
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500263
3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid
CID 82283381

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid (CID 91000148) is 2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid is Cc1c(-c2ccco2)ncc(=O)n1CC(=O)O.
What is the InChIKey of 2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid?
The InChIKey is JJLRPVXFZPFWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-7-11(8-3-2-4-17-8)12-5-9(14)13(7)6-10(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid?
2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid has a molecular weight of 234.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 91000148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).