3-prop-2-enoxypyridazine-4-carboxylic acid

C8H8N2O3 — CID 80517301

IUPAC3-prop-2-enoxypyridazine-4-carboxylic acid
SMILESC=CCOc1nnccc1C(=O)O
InChIInChI=1S/C8H8N2O3/c1-2-5-13-7-6(8(11)12)3-4-9-10-7/h2-4H,1,5H2,(H,11,12)
InChIKeyZRJGMVIDZWIHGW-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.74
Rot. Bonds4

About 3-prop-2-enoxypyridazine-4-carboxylic acid

3-prop-2-enoxypyridazine-4-carboxylic acid (PubChem CID 80517301) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 3-prop-2-enoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-prop-2-enoxypyridazine-4-carboxylic acid
PubChem CID80517301
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name3-prop-2-enoxypyridazine-4-carboxylic acid
SMILESC=CCOc1nnccc1C(=O)O
InChIInChI=1S/C8H8N2O3/c1-2-5-13-7-6(8(11)12)3-4-9-10-7/h2-4H,1,5H2,(H,11,12)
InChIKeyZRJGMVIDZWIHGW-UHFFFAOYSA-N
XLogP0.74
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypyridazine-4-carboxylic acid?
The IUPAC name of 3-prop-2-enoxypyridazine-4-carboxylic acid (CID 80517301) is 3-prop-2-enoxypyridazine-4-carboxylic acid.
What is the SMILES notation for 3-prop-2-enoxypyridazine-4-carboxylic acid?
The canonical SMILES for 3-prop-2-enoxypyridazine-4-carboxylic acid is C=CCOc1nnccc1C(=O)O.
What is the InChIKey of 3-prop-2-enoxypyridazine-4-carboxylic acid?
The InChIKey is ZRJGMVIDZWIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-2-5-13-7-6(8(11)12)3-4-9-10-7/h2-4H,1,5H2,(H,11,12).
What are the key properties of 3-prop-2-enoxypyridazine-4-carboxylic acid?
3-prop-2-enoxypyridazine-4-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 80517301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).