2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one

C11H14N2O2 — CID 104751389

IUPAC2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)C1CCCC1
InChIInChI=1S/C11H14N2O2/c14-10(9-4-1-2-5-9)8-13-11(15)6-3-7-12-13/h3,6-7,9H,1-2,4-5,8H2
InChIKeyJRXQEGJQCAHQKJ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.00
Rot. Bonds3

About 2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one

2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one (PubChem CID 104751389) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one
PubChem CID104751389
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)C1CCCC1
InChIInChI=1S/C11H14N2O2/c14-10(9-4-1-2-5-9)8-13-11(15)6-3-7-12-13/h3,6-7,9H,1-2,4-5,8H2
InChIKeyJRXQEGJQCAHQKJ-UHFFFAOYSA-N
XLogP1.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 104751388
2-[2-oxo-2-(3-phenylazepan-1-yl)ethyl]pyridazin-3-one
CID 121146184
1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730
2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one
CID 121178227
2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 126851060
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
2-phenacylpyridazin-3-one
CID 62851024
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione
CID 139772200
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923085
2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one
CID 122331787

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one?
The IUPAC name of 2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one (CID 104751389) is 2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one is O=C(Cn1ncccc1=O)C1CCCC1.
What is the InChIKey of 2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one?
The InChIKey is JRXQEGJQCAHQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10(9-4-1-2-5-9)8-13-11(15)6-3-7-12-13/h3,6-7,9H,1-2,4-5,8H2.
What are the key properties of 2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one?
2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one has a molecular weight of 206.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one is sourced from PubChem (CID 104751389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).