1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid

C8H10N2O2 — CID 45496475

IUPAC1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid
SMILESO=C(O)C1NCCn2cccc21
InChIInChI=1S/C8H10N2O2/c11-8(12)7-6-2-1-4-10(6)5-3-9-7/h1-2,4,7,9H,3,5H2,(H,11,12)
InChIKeyUCOVVOQXWHGWRK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.22
Rot. Bonds1

About 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid

1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid (PubChem CID 45496475) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid
PubChem CID45496475
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid
SMILESO=C(O)C1NCCn2cccc21
InChIInChI=1S/C8H10N2O2/c11-8(12)7-6-2-1-4-10(6)5-3-9-7/h1-2,4,7,9H,3,5H2,(H,11,12)
InChIKeyUCOVVOQXWHGWRK-UHFFFAOYSA-N
XLogP0.22
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid?
The IUPAC name of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid (CID 45496475) is 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid.
What is the SMILES notation for 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid?
The canonical SMILES for 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid is O=C(O)C1NCCn2cccc21.
What is the InChIKey of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid?
The InChIKey is UCOVVOQXWHGWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)7-6-2-1-4-10(6)5-3-9-7/h1-2,4,7,9H,3,5H2,(H,11,12).
What are the key properties of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid?
1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid is sourced from PubChem (CID 45496475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).