(6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid

C8H8N2O3 — CID 129164434

IUPAC(6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2cncc(=O)n21
InChIInChI=1S/C8H8N2O3/c11-7-4-9-3-5-1-2-6(8(12)13)10(5)7/h3-4,6H,1-2H2,(H,12,13)/t6-/m0/s1
InChIKeyVGJFQZYIONNMBU-LURJTMIESA-N
MW180.16 g/mol
LogP-0.18
Rot. Bonds1

About (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid

(6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid (PubChem CID 129164434) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
PubChem CID129164434
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name(6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2cncc(=O)n21
InChIInChI=1S/C8H8N2O3/c11-7-4-9-3-5-1-2-6(8(12)13)10(5)7/h3-4,6H,1-2H2,(H,12,13)/t6-/m0/s1
InChIKeyVGJFQZYIONNMBU-LURJTMIESA-N
XLogP-0.18
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The IUPAC name of (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid (CID 129164434) is (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The canonical SMILES for (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid is O=C(O)[C@@H]1CCc2cncc(=O)n21.
What is the InChIKey of (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The InChIKey is VGJFQZYIONNMBU-LURJTMIESA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7-4-9-3-5-1-2-6(8(12)13)10(5)7/h3-4,6H,1-2H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid?
(6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 129164434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).