2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one

C11H17N3O2 — CID 104920965

IUPAC2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC[C@H](O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H17N3O2/c1-9(15)8-14-11(16)6-10(7-12-14)13-4-2-3-5-13/h6-7,9,15H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyIENCNRXCGWIIEW-VIFPVBQESA-N
MW223.28 g/mol
LogP0.22
Rot. Bonds3

About 2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 104920965) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID104920965
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC[C@H](O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H17N3O2/c1-9(15)8-14-11(16)6-10(7-12-14)13-4-2-3-5-13/h6-7,9,15H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyIENCNRXCGWIIEW-VIFPVBQESA-N
XLogP0.22
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 104920965) is 2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one is C[C@H](O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is IENCNRXCGWIIEW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9(15)8-14-11(16)6-10(7-12-14)13-4-2-3-5-13/h6-7,9,15H,2-5,8H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 104920965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).