3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

C11H12N2O2 — CID 689109

IUPAC3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C11H12N2O2/c1-15-9-4-2-8(3-5-9)10-6-7-11(14)13-12-10/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyDOTABPGEJRYYTM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.31
Rot. Bonds2

About 3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 689109) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID689109
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C11H12N2O2/c1-15-9-4-2-8(3-5-9)10-6-7-11(14)13-12-10/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyDOTABPGEJRYYTM-UHFFFAOYSA-N
XLogP1.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 689109) is 3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is DOTABPGEJRYYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-9-4-2-8(3-5-9)10-6-7-11(14)13-12-10/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 204.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 689109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).