8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one

C13H20N2O — CID 123958821

IUPAC8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one
SMILESCCC1CCCc2cc(=O)n(C)nc2CC1
InChIInChI=1S/C13H20N2O/c1-3-10-5-4-6-11-9-13(16)15(2)14-12(11)8-7-10/h9-10H,3-8H2,1-2H3
InChIKeyAYEGYWDWVFUIHP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.08
Rot. Bonds1

About 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one

8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one (PubChem CID 123958821) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one.

Molecular Properties

Compound Name8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one
PubChem CID123958821
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one
SMILESCCC1CCCc2cc(=O)n(C)nc2CC1
InChIInChI=1S/C13H20N2O/c1-3-10-5-4-6-11-9-13(16)15(2)14-12(11)8-7-10/h9-10H,3-8H2,1-2H3
InChIKeyAYEGYWDWVFUIHP-UHFFFAOYSA-N
XLogP2.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one with MolForge

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Related Compounds

8-(2-Aminoethyl)-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one
CID 145588094
2,5-Dimethyl-6-propan-2-ylpyridazin-3-one
CID 162773622
2-Methyl-6-tetradecan-7-ylpyridazin-3-one
CID 167050006
2-Methyl-5-octan-2-ylpyridazin-3-one
CID 170039599
2,6-Dimethyl-5-propan-2-ylpyridazin-3-one
CID 172614593
2-Methyl-6-(3-methylpentan-2-yl)pyridazin-3-one
CID 178009381
5-Butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one
CID 5461509
5-(Aminomethyl)-6-cyclopentyl-2-methylpyridazin-3-one
CID 84120081
5-(Aminomethyl)-6-cyclohexyl-2-methylpyridazin-3-one
CID 84130414

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one?
The IUPAC name of 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one (CID 123958821) is 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one.
What is the SMILES notation for 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one?
The canonical SMILES for 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one is CCC1CCCc2cc(=O)n(C)nc2CC1.
What is the InChIKey of 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one?
The InChIKey is AYEGYWDWVFUIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-10-5-4-6-11-9-13(16)15(2)14-12(11)8-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one?
8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one has a molecular weight of 220.32 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one is sourced from PubChem (CID 123958821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).