2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C15H23N3O2 — CID 114397045

IUPAC2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCC1CCCC1O
InChIInChI=1S/C15H23N3O2/c19-14-5-3-4-12(14)6-9-18-15(20)10-13(11-16-18)17-7-1-2-8-17/h10-12,14,19H,1-9H2
InChIKeyMRLSJIFMSQCEQC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.39
Rot. Bonds4

About 2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114397045) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114397045
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCC1CCCC1O
InChIInChI=1S/C15H23N3O2/c19-14-5-3-4-12(14)6-9-18-15(20)10-13(11-16-18)17-7-1-2-8-17/h10-12,14,19H,1-9H2
InChIKeyMRLSJIFMSQCEQC-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-Hydroxycyclopentyl)ethyl]pyridazin-3-one
CID 79563658
2-[2-(2-Hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one
CID 106548982
5-(Dimethylamino)-2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one
CID 113579664
2-(2-Hydroxy-3-methylpentyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397047
2-(2-Cyclohexyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397050
2-(2-Cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397054
2-(2-Cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397065
2-(2-Cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397074
2-[2-(2-Hydroxycyclopentyl)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397076
2-[2-(2-Hydroxycyclopentyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397087
2-(2-Cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397097
2-[2-(2-Hydroxycyclopentyl)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397105

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 114397045) is 2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1CCC1CCCC1O.
What is the InChIKey of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is MRLSJIFMSQCEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-14-5-3-4-12(14)6-9-18-15(20)10-13(11-16-18)17-7-1-2-8-17/h10-12,14,19H,1-9H2.
What are the key properties of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114397045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).