1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid

C11H14N2O4 — CID 82375645

IUPAC1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid
SMILESCCCC1C(=O)Nc2c(coc2C(=O)O)N1C
InChIInChI=1S/C11H14N2O4/c1-3-4-6-10(14)12-8-7(13(6)2)5-17-9(8)11(15)16/h5-6H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyDMJSMGFOYIIXBI-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.53
Rot. Bonds3

About 1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid

1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid (PubChem CID 82375645) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid
PubChem CID82375645
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid
SMILESCCCC1C(=O)Nc2c(coc2C(=O)O)N1C
InChIInChI=1S/C11H14N2O4/c1-3-4-6-10(14)12-8-7(13(6)2)5-17-9(8)11(15)16/h5-6H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyDMJSMGFOYIIXBI-UHFFFAOYSA-N
XLogP1.53
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid?
The IUPAC name of 1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid (CID 82375645) is 1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid is CCCC1C(=O)Nc2c(coc2C(=O)O)N1C.
What is the InChIKey of 1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid?
The InChIKey is DMJSMGFOYIIXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-4-6-10(14)12-8-7(13(6)2)5-17-9(8)11(15)16/h5-6H,3-4H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid?
1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid is sourced from PubChem (CID 82375645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).