2-hept-6-enyl-5-iodopyridazin-3-one

C11H15IN2O — CID 107009997

IUPAC2-hept-6-enyl-5-iodopyridazin-3-one
SMILESC=CCCCCCn1ncc(I)cc1=O
InChIInChI=1S/C11H15IN2O/c1-2-3-4-5-6-7-14-11(15)8-10(12)9-13-14/h2,8-9H,1,3-7H2
InChIKeyARZVCFAHGAPFFU-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.59
Rot. Bonds6

About 2-hept-6-enyl-5-iodopyridazin-3-one

2-hept-6-enyl-5-iodopyridazin-3-one (PubChem CID 107009997) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-hept-6-enyl-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-hept-6-enyl-5-iodopyridazin-3-one
PubChem CID107009997
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name2-hept-6-enyl-5-iodopyridazin-3-one
SMILESC=CCCCCCn1ncc(I)cc1=O
InChIInChI=1S/C11H15IN2O/c1-2-3-4-5-6-7-14-11(15)8-10(12)9-13-14/h2,8-9H,1,3-7H2
InChIKeyARZVCFAHGAPFFU-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dibromo-2-hept-6-enylpyridazin-3-one
CID 107009995
4,5-Dichloro-2-hept-6-enylpyridazin-3-one
CID 107009996
5-Iodo-2-pentan-2-ylpyridazin-3-one
CID 107885709
2-Decyl-5-iodopyridazin-3-one
CID 113600155
2-Butyl-5-iodopyridazin-3-one
CID 114553313
2-Hexyl-5-iodopyridazin-3-one
CID 114553314
5-Iodo-2-octylpyridazin-3-one
CID 114553315
2-Cyclohexyl-5-iodopyridazin-3-one
CID 114553319
5-Iodo-2-(3-methylbut-3-enyl)pyridazin-3-one
CID 114553365
5-Iodo-2-pent-4-enylpyridazin-3-one
CID 114553368
2-Heptyl-5-iodopyridazin-3-one
CID 114553370
2-Dodecyl-5-iodopyridazin-3-one
CID 114553371

Frequently Asked Questions

What is the IUPAC name of 2-hept-6-enyl-5-iodopyridazin-3-one?
The IUPAC name of 2-hept-6-enyl-5-iodopyridazin-3-one (CID 107009997) is 2-hept-6-enyl-5-iodopyridazin-3-one.
What is the SMILES notation for 2-hept-6-enyl-5-iodopyridazin-3-one?
The canonical SMILES for 2-hept-6-enyl-5-iodopyridazin-3-one is C=CCCCCCn1ncc(I)cc1=O.
What is the InChIKey of 2-hept-6-enyl-5-iodopyridazin-3-one?
The InChIKey is ARZVCFAHGAPFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-2-3-4-5-6-7-14-11(15)8-10(12)9-13-14/h2,8-9H,1,3-7H2.
What are the key properties of 2-hept-6-enyl-5-iodopyridazin-3-one?
2-hept-6-enyl-5-iodopyridazin-3-one has a molecular weight of 318.16 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-6-enyl-5-iodopyridazin-3-one is sourced from PubChem (CID 107009997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).