6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C15H21N3O — CID 131955905

IUPAC6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCN(C1C=CCCCCC1)C2
InChIInChI=1S/C15H21N3O/c19-15-10-12-11-18(9-8-14(12)16-17-15)13-6-4-2-1-3-5-7-13/h4,6,10,13H,1-3,5,7-9,11H2,(H,17,19)
InChIKeyZWUDUGVMARUNRV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.02
Rot. Bonds1

About 6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 131955905) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID131955905
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCN(C1C=CCCCCC1)C2
InChIInChI=1S/C15H21N3O/c19-15-10-12-11-18(9-8-14(12)16-17-15)13-6-4-2-1-3-5-7-13/h4,6,10,13H,1-3,5,7-9,11H2,(H,17,19)
InChIKeyZWUDUGVMARUNRV-UHFFFAOYSA-N
XLogP2.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 131955905) is 6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(n[nH]1)CCN(C1C=CCCCCC1)C2.
What is the InChIKey of 6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is ZWUDUGVMARUNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15-10-12-11-18(9-8-14(12)16-17-15)13-6-4-2-1-3-5-7-13/h4,6,10,13H,1-3,5,7-9,11H2,(H,17,19).
What are the key properties of 6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 259.35 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 131955905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).