2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

C10H13N3O3 — CID 139772199

IUPAC2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H13N3O3/c14-8-3-5-12(6-8)10(16)7-13-9(15)2-1-4-11-13/h1-2,4,8,14H,3,5-7H2/t8-/m1/s1
InChIKeyCFPGVCMHKIGKED-MRVPVSSYSA-N
MW223.23 g/mol
LogP-1.16
Rot. Bonds2

About 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 139772199) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID139772199
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H13N3O3/c14-8-3-5-12(6-8)10(16)7-13-9(15)2-1-4-11-13/h1-2,4,8,14H,3,5-7H2/t8-/m1/s1
InChIKeyCFPGVCMHKIGKED-MRVPVSSYSA-N
XLogP-1.16
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Hydroxybutyl)pyridazin-3-one
CID 62849611
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 111561544

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 139772199) is 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CC[C@@H](O)C1.
What is the InChIKey of 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is CFPGVCMHKIGKED-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8-3-5-12(6-8)10(16)7-13-9(15)2-1-4-11-13/h1-2,4,8,14H,3,5-7H2/t8-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 223.23 g/mol, XLogP of -1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 139772199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).