2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C11H15N3O4 — CID 62371663

IUPAC2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC(CO)C1
InChIInChI=1S/C11H15N3O4/c15-7-8-3-4-13(5-8)11(18)6-14-10(17)2-1-9(16)12-14/h1-2,8,15H,3-7H2,(H,12,16)
InChIKeyRLAXKXKLUSJYOL-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.62
Rot. Bonds3

About 2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 62371663) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID62371663
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC(CO)C1
InChIInChI=1S/C11H15N3O4/c15-7-8-3-4-13(5-8)11(18)6-14-10(17)2-1-9(16)12-14/h1-2,8,15H,3-7H2,(H,12,16)
InChIKeyRLAXKXKLUSJYOL-UHFFFAOYSA-N
XLogP-1.62
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide
CID 53499966
2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 54878794
2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62917770
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030583
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719761
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031435
2-[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 65992596
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66106200
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66262147
2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 79029989
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 79403973
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94891381

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 62371663) is 2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCC(CO)C1.
What is the InChIKey of 2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is RLAXKXKLUSJYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-7-8-3-4-13(5-8)11(18)6-14-10(17)2-1-9(16)12-14/h1-2,8,15H,3-7H2,(H,12,16).
What are the key properties of 2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 253.26 g/mol, XLogP of -1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62371663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).