4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

C13H14N2O2 — CID 13486195

IUPAC4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESC=CCOc1ccccc1C1C=NNC(=O)C1
InChIInChI=1S/C13H14N2O2/c1-2-7-17-12-6-4-3-5-11(12)10-8-13(16)15-14-9-10/h2-6,9-10H,1,7-8H2,(H,15,16)
InChIKeyVQGUOECCRRPWIJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.84
Rot. Bonds4

About 4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 13486195) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID13486195
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESC=CCOc1ccccc1C1C=NNC(=O)C1
InChIInChI=1S/C13H14N2O2/c1-2-7-17-12-6-4-3-5-11(12)10-8-13(16)15-14-9-10/h2-6,9-10H,1,7-8H2,(H,15,16)
InChIKeyVQGUOECCRRPWIJ-UHFFFAOYSA-N
XLogP1.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.84
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 4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 13486195) is 4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is C=CCOc1ccccc1C1C=NNC(=O)C1.
What is the InChIKey of 4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is VQGUOECCRRPWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-7-17-12-6-4-3-5-11(12)10-8-13(16)15-14-9-10/h2-6,9-10H,1,7-8H2,(H,15,16).
What are the key properties of 4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 13486195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).