2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one

C11H16N2O2 — CID 79563658

IUPAC2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCC1CCCC1O
InChIInChI=1S/C11H16N2O2/c14-10-4-1-3-9(10)6-8-13-11(15)5-2-7-12-13/h2,5,7,9-10,14H,1,3-4,6,8H2
InChIKeyNVACHWHLRJTERM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds3

About 2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one

2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one (PubChem CID 79563658) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one
PubChem CID79563658
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCC1CCCC1O
InChIInChI=1S/C11H16N2O2/c14-10-4-1-3-9(10)6-8-13-11(15)5-2-7-12-13/h2,5,7,9-10,14H,1,3-4,6,8H2
InChIKeyNVACHWHLRJTERM-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one (CID 79563658) is 2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one is O=c1cccnn1CCC1CCCC1O.
What is the InChIKey of 2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one?
The InChIKey is NVACHWHLRJTERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-4-1-3-9(10)6-8-13-11(15)5-2-7-12-13/h2,5,7,9-10,14H,1,3-4,6,8H2.
What are the key properties of 2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one?
2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one is sourced from PubChem (CID 79563658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).