4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one

C11H16N2O — CID 23464662

IUPAC4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one
SMILESCc1c2c(n[nH]c1=O)CCCCCC2
InChIInChI=1S/C11H16N2O/c1-8-9-6-4-2-3-5-7-10(9)12-13-11(8)14/h2-7H2,1H3,(H,13,14)
InChIKeyBZMBLWXSVLMKSJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.74
Rot. Bonds

About 4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one

4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one (PubChem CID 23464662) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one.

Molecular Properties

Compound Name4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one
PubChem CID23464662
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one
SMILESCc1c2c(n[nH]c1=O)CCCCCC2
InChIInChI=1S/C11H16N2O/c1-8-9-6-4-2-3-5-7-10(9)12-13-11(8)14/h2-7H2,1H3,(H,13,14)
InChIKeyBZMBLWXSVLMKSJ-UHFFFAOYSA-N
XLogP1.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one?
The IUPAC name of 4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one (CID 23464662) is 4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one.
What is the SMILES notation for 4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one?
The canonical SMILES for 4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one is Cc1c2c(n[nH]c1=O)CCCCCC2.
What is the InChIKey of 4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one?
The InChIKey is BZMBLWXSVLMKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-9-6-4-2-3-5-7-10(9)12-13-11(8)14/h2-7H2,1H3,(H,13,14).
What are the key properties of 4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one?
4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one has a molecular weight of 192.26 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one is sourced from PubChem (CID 23464662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).