2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C10H9N3O2 — CID 89453189

IUPAC2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC=C(C)c1cnc2[nH]cc(C(=O)O)c2n1
InChIInChI=1S/C10H9N3O2/c1-5(2)7-4-12-9-8(13-7)6(3-11-9)10(14)15/h3-4H,1H2,2H3,(H,11,12)(H,14,15)
InChIKeyAXCDBJVJQPAREQ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.69
Rot. Bonds2

About 2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 89453189) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID89453189
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC=C(C)c1cnc2[nH]cc(C(=O)O)c2n1
InChIInChI=1S/C10H9N3O2/c1-5(2)7-4-12-9-8(13-7)6(3-11-9)10(14)15/h3-4H,1H2,2H3,(H,11,12)(H,14,15)
InChIKeyAXCDBJVJQPAREQ-UHFFFAOYSA-N
XLogP1.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 89453189) is 2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C=C(C)c1cnc2[nH]cc(C(=O)O)c2n1.
What is the InChIKey of 2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is AXCDBJVJQPAREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-5(2)7-4-12-9-8(13-7)6(3-11-9)10(14)15/h3-4H,1H2,2H3,(H,11,12)(H,14,15).
What are the key properties of 2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 89453189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).