2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid

C15H14N2O4 — CID 3011067

IUPAC2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2
InChIInChI=1S/C15H14N2O4/c18-13-11(15(20)21)9-16-6-7-17(14(19)12(13)16)8-10-4-2-1-3-5-10/h1-5,9,18H,6-8H2,(H,20,21)
InChIKeyOPANOAJWRBCHIN-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.55
Rot. Bonds3

About 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid

2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 3011067) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
PubChem CID3011067
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2
InChIInChI=1S/C15H14N2O4/c18-13-11(15(20)21)9-16-6-7-17(14(19)12(13)16)8-10-4-2-1-3-5-10/h1-5,9,18H,6-8H2,(H,20,21)
InChIKeyOPANOAJWRBCHIN-UHFFFAOYSA-N
XLogP1.55
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-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-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid (CID 3011067) is 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid is O=C(O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2.
What is the InChIKey of 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is OPANOAJWRBCHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13-11(15(20)21)9-16-6-7-17(14(19)12(13)16)8-10-4-2-1-3-5-10/h1-5,9,18H,6-8H2,(H,20,21).
What are the key properties of 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 3011067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).