6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one

C13H15N3O2 — CID 90627206

IUPAC6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2C3C=CCC2CC3)ccc1=O
InChIInChI=1S/C13H15N3O2/c1-15-12(17)8-7-11(14-15)13(18)16-9-3-2-4-10(16)6-5-9/h2-3,7-10H,4-6H2,1H3
InChIKeyDVMYXQOSDGUIHH-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.71
Rot. Bonds1

About 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one

6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one (PubChem CID 90627206) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one
PubChem CID90627206
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2C3C=CCC2CC3)ccc1=O
InChIInChI=1S/C13H15N3O2/c1-15-12(17)8-7-11(14-15)13(18)16-9-3-2-4-10(16)6-5-9/h2-3,7-10H,4-6H2,1H3
InChIKeyDVMYXQOSDGUIHH-UHFFFAOYSA-N
XLogP0.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one (CID 90627206) is 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2C3C=CCC2CC3)ccc1=O.
What is the InChIKey of 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is DVMYXQOSDGUIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-15-12(17)8-7-11(14-15)13(18)16-9-3-2-4-10(16)6-5-9/h2-3,7-10H,4-6H2,1H3.
What are the key properties of 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one?
6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 245.28 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 90627206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).