2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C11H16N2O — CID 126857417

IUPAC2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C)Cn1nc2c(cc1=O)CCC2
InChIInChI=1S/C11H16N2O/c1-8(2)7-13-11(14)6-9-4-3-5-10(9)12-13/h6,8H,3-5,7H2,1-2H3
InChIKeyLTEMBHYFNWDCAM-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.39
Rot. Bonds2

About 2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126857417) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126857417
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C)Cn1nc2c(cc1=O)CCC2
InChIInChI=1S/C11H16N2O/c1-8(2)7-13-11(14)6-9-4-3-5-10(9)12-13/h6,8H,3-5,7H2,1-2H3
InChIKeyLTEMBHYFNWDCAM-UHFFFAOYSA-N
XLogP1.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851792
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
CID 52903099
N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52902394
N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide
CID 110211154
(2R)-N-[(2R)-1-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)propan-2-yl]oxolane-2-carboxamide
CID 95792007
2-(3,3-dimethyl-2-oxobutyl)-5,6,7,8-tetrahydrocinnolin-3-one
CID 51075108
2-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864997
N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 75465729
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide
CID 75465727
ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one
CID 177158432
N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279868
2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915278

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126857417) is 2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is CC(C)Cn1nc2c(cc1=O)CCC2.
What is the InChIKey of 2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is LTEMBHYFNWDCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)7-13-11(14)6-9-4-3-5-10(9)12-13/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 192.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126857417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).