2-prop-2-enyl-1H-pyridazine-3,6-dione

C7H8N2O2 — CID 12843593

IUPAC2-prop-2-enyl-1H-pyridazine-3,6-dione
SMILESC=CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H8N2O2/c1-2-5-9-7(11)4-3-6(10)8-9/h2-4H,1,5H2,(H,8,10)
InChIKeyJEHZPYMCCKTQJD-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.28
Rot. Bonds2

About 2-prop-2-enyl-1H-pyridazine-3,6-dione

2-prop-2-enyl-1H-pyridazine-3,6-dione (PubChem CID 12843593) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-prop-2-enyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-prop-2-enyl-1H-pyridazine-3,6-dione
PubChem CID12843593
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-prop-2-enyl-1H-pyridazine-3,6-dione
SMILESC=CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H8N2O2/c1-2-5-9-7(11)4-3-6(10)8-9/h2-4H,1,5H2,(H,8,10)
InChIKeyJEHZPYMCCKTQJD-UHFFFAOYSA-N
XLogP-0.28
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-prop-2-enyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-prop-2-enyl-1H-pyridazine-3,6-dione (CID 12843593) is 2-prop-2-enyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-prop-2-enyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-prop-2-enyl-1H-pyridazine-3,6-dione is C=CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-prop-2-enyl-1H-pyridazine-3,6-dione?
The InChIKey is JEHZPYMCCKTQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-5-9-7(11)4-3-6(10)8-9/h2-4H,1,5H2,(H,8,10).
What are the key properties of 2-prop-2-enyl-1H-pyridazine-3,6-dione?
2-prop-2-enyl-1H-pyridazine-3,6-dione has a molecular weight of 152.15 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 12843593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).