4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione

C7H8N2O2 — CID 69122748

IUPAC4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione
SMILESC=CCc1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C7H8N2O2/c1-2-3-5-4-6(10)8-9-7(5)11/h2,4H,1,3H2,(H,8,10)(H,9,11)
InChIKeyKAGYQBXZXLSORU-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.21
Rot. Bonds2

About 4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione

4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione (PubChem CID 69122748) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione
PubChem CID69122748
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione
SMILESC=CCc1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C7H8N2O2/c1-2-3-5-4-6(10)8-9-7(5)11/h2,4H,1,3H2,(H,8,10)(H,9,11)
InChIKeyKAGYQBXZXLSORU-UHFFFAOYSA-N
XLogP-0.21
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione (CID 69122748) is 4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione is C=CCc1cc(=O)[nH][nH]c1=O.
What is the InChIKey of 4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione?
The InChIKey is KAGYQBXZXLSORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-3-5-4-6(10)8-9-7(5)11/h2,4H,1,3H2,(H,8,10)(H,9,11).
What are the key properties of 4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione?
4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione has a molecular weight of 152.15 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 69122748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).