2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid

C12H16N2O3 — CID 86820454

IUPAC2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
SMILESCC(C)CN1C(=O)c2cccn2CC1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-8(2)6-14-10(12(16)17)7-13-5-3-4-9(13)11(14)15/h3-5,8,10H,6-7H2,1-2H3,(H,16,17)
InChIKeyUDQDROKCBSOBNP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.05
Rot. Bonds3

About 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid

2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid (PubChem CID 86820454) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
PubChem CID86820454
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
SMILESCC(C)CN1C(=O)c2cccn2CC1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-8(2)6-14-10(12(16)17)7-13-5-3-4-9(13)11(14)15/h3-5,8,10H,6-7H2,1-2H3,(H,16,17)
InChIKeyUDQDROKCBSOBNP-UHFFFAOYSA-N
XLogP1.05
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid (CID 86820454) is 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid is CC(C)CN1C(=O)c2cccn2CC1C(=O)O.
What is the InChIKey of 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The InChIKey is UDQDROKCBSOBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(2)6-14-10(12(16)17)7-13-5-3-4-9(13)11(14)15/h3-5,8,10H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 86820454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).