2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one

C11H16N2O2 — CID 99841717

IUPAC2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one
SMILESCC/C=C/CCn1nc(OC)ccc1=O
InChIInChI=1S/C11H16N2O2/c1-3-4-5-6-9-13-11(14)8-7-10(12-13)15-2/h4-5,7-8H,3,6,9H2,1-2H3/b5-4+
InChIKeyIVZPCVGHLQZYGK-SNAWJCMRSA-N
MW208.26 g/mol
LogP1.61
Rot. Bonds5

About 2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one

2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one (PubChem CID 99841717) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one
PubChem CID99841717
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one
SMILESCC/C=C/CCn1nc(OC)ccc1=O
InChIInChI=1S/C11H16N2O2/c1-3-4-5-6-9-13-11(14)8-7-10(12-13)15-2/h4-5,7-8H,3,6,9H2,1-2H3/b5-4+
InChIKeyIVZPCVGHLQZYGK-SNAWJCMRSA-N
XLogP1.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one (CID 99841717) is 2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one is CC/C=C/CCn1nc(OC)ccc1=O.
What is the InChIKey of 2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one?
The InChIKey is IVZPCVGHLQZYGK-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-4-5-6-9-13-11(14)8-7-10(12-13)15-2/h4-5,7-8H,3,6,9H2,1-2H3/b5-4+.
What are the key properties of 2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one?
2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-3-enyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 99841717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).