1-(6-methoxypyridazin-3-yl)undecan-1-one

C16H26N2O2 — CID 103373382

IUPAC1-(6-methoxypyridazin-3-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1ccc(OC)nn1
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-8-9-10-11-15(19)14-12-13-16(20-2)18-17-14/h12-13H,3-11H2,1-2H3
InChIKeyIGIGUQIPDHVMAE-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.20
Rot. Bonds11

About 1-(6-methoxypyridazin-3-yl)undecan-1-one

1-(6-methoxypyridazin-3-yl)undecan-1-one (PubChem CID 103373382) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)undecan-1-one.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)undecan-1-one
PubChem CID103373382
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(6-methoxypyridazin-3-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1ccc(OC)nn1
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-8-9-10-11-15(19)14-12-13-16(20-2)18-17-14/h12-13H,3-11H2,1-2H3
InChIKeyIGIGUQIPDHVMAE-UHFFFAOYSA-N
XLogP4.20
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)undecan-1-one?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)undecan-1-one (CID 103373382) is 1-(6-methoxypyridazin-3-yl)undecan-1-one.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)undecan-1-one?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)undecan-1-one is CCCCCCCCCCC(=O)c1ccc(OC)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)undecan-1-one?
The InChIKey is IGIGUQIPDHVMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-5-6-7-8-9-10-11-15(19)14-12-13-16(20-2)18-17-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)undecan-1-one?
1-(6-methoxypyridazin-3-yl)undecan-1-one has a molecular weight of 278.40 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)undecan-1-one is sourced from PubChem (CID 103373382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).