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

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Related Compounds

Ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011066
Ethyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011068
2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 3011070
Ethyl 2-[(3-chlorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011073
2-[(3-Chlorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 3011074
N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 3011075
Ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011076
Ethyl 2-[(4-chlorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011078
Ethyl 2-[(3-chloro-4-fluoro-phenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011079
Ethyl 2-[(3,4-dichlorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011080
5-[(7-Benzyl-4-hydroxy-8-oxo-7,8-dihydro-[2,7]naphthyridine-3-carbonyl)-amino]-pentanoic acid
CID 60152914
2-O-tert-butyl 4-O-ethyl 1-benzyl-3-hydroxypyrrole-2,4-dicarboxylate
CID 54687247

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).