6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one

C10H12N2O2 — CID 12843594

IUPAC6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one
SMILESC=CCOc1ccc(=O)n(CC=C)n1
InChIInChI=1S/C10H12N2O2/c1-3-7-12-10(13)6-5-9(11-12)14-8-4-2/h3-6H,1-2,7-8H2
InChIKeyIRJSARUBJFOUJF-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.99
Rot. Bonds5

About 6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one

6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one (PubChem CID 12843594) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one
PubChem CID12843594
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one
SMILESC=CCOc1ccc(=O)n(CC=C)n1
InChIInChI=1S/C10H12N2O2/c1-3-7-12-10(13)6-5-9(11-12)14-8-4-2/h3-6H,1-2,7-8H2
InChIKeyIRJSARUBJFOUJF-UHFFFAOYSA-N
XLogP0.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-methoxy-6-pyridazone
CID 96429
2-methyl-6-propoxypyridazin-3(2H)-one
CID 5243598
6-Prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one
CID 11469520
Trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746484
2-(2,2-Difluoroethyl)-6-methoxypyridazin-3-one
CID 130627801
2-(2-Cyanoethyl)-2,3-dihydro-6-methoxy-3-oxopyridazine
CID 587495
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
3(2H)-Pyridazinone, 6-[2-(diethylamino)ethoxy]-2-methyl-
CID 12015112
2-Methyl-6-(2-methylpropoxy)pyridazin-3-one
CID 33730565
ethyl (E)-4-(3-methyl-6-oxopyridazin-1-yl)but-2-enoate
CID 80279388
ethyl (E)-4-(6-oxopyridazin-1-yl)but-2-enoate
CID 80546653
2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one
CID 99841717

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one (CID 12843594) is 6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one is C=CCOc1ccc(=O)n(CC=C)n1.
What is the InChIKey of 6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one?
The InChIKey is IRJSARUBJFOUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-7-12-10(13)6-5-9(11-12)14-8-4-2/h3-6H,1-2,7-8H2.
What are the key properties of 6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one?
6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one has a molecular weight of 192.22 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoxy-2-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 12843594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).