5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid

C8H8N2O2 — CID 57085251

IUPAC5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid
SMILESC/C=C/c1cnc(C(=O)O)cn1
InChIInChI=1S/C8H8N2O2/c1-2-3-6-4-10-7(5-9-6)8(11)12/h2-5H,1H3,(H,11,12)/b3-2+
InChIKeyDHZMQDOZMHRNIJ-NSCUHMNNSA-N
MW164.16 g/mol
LogP1.21
Rot. Bonds2

About 5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid

5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid (PubChem CID 57085251) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid
PubChem CID57085251
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid
SMILESC/C=C/c1cnc(C(=O)O)cn1
InChIInChI=1S/C8H8N2O2/c1-2-3-6-4-10-7(5-9-6)8(11)12/h2-5H,1H3,(H,11,12)/b3-2+
InChIKeyDHZMQDOZMHRNIJ-NSCUHMNNSA-N
XLogP1.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid
CID 121315252
5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid
CID 166302015
5-acetylpyrazine-2-carbaldehyde;ethane
CID 142622200
5-methoxypyrazine-2-carboxylic acid;hydrochloride
CID 121268158
5-methylpyrazine-2-carboxylic acid;1,4-xylene
CID 174881923
tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate
CID 57475684
5-(methylsulfanylmethyl)pyrazine-2-carboxylic acid
CID 117213283
5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684747
CID 67254441
CID 67254441
carbonic acid;4-[(Z)-prop-1-enyl]-1,3-thiazol-2-amine
CID 88600251
5-(ethylaminomethyl)pyrazine-2-carboxylic acid
CID 105439294
carbonic acid;4-prop-1-enyl-1,3-thiazol-2-amine
CID 88644555

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid (CID 57085251) is 5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid is C/C=C/c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid?
The InChIKey is DHZMQDOZMHRNIJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-2-3-6-4-10-7(5-9-6)8(11)12/h2-5H,1H3,(H,11,12)/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid?
5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 57085251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).