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

C11H15N3O4 — CID 66260544

IUPAC2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC[C@H]1CO
InChIInChI=1S/C11H15N3O4/c15-7-8-2-1-5-13(8)11(18)6-14-10(17)4-3-9(16)12-14/h3-4,8,15H,1-2,5-7H2,(H,12,16)/t8-/m0/s1
InChIKeyDZVBJQNMSIEQGA-QMMMGPOBSA-N
MW253.26 g/mol
LogP-1.48
Rot. Bonds3

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

2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 66260544) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID66260544
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC[C@H]1CO
InChIInChI=1S/C11H15N3O4/c15-7-8-2-1-5-13(8)11(18)6-14-10(17)4-3-9(16)12-14/h3-4,8,15H,1-2,5-7H2,(H,12,16)/t8-/m0/s1
InChIKeyDZVBJQNMSIEQGA-QMMMGPOBSA-N
XLogP-1.48
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 ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43170885
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356785
2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43572846
(2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137971
(2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151679
2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 61411314
N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 61584914
2-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62467009
2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62917770
(2S,4R)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857101
(2S,4S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713345
2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66052369

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 66260544) is 2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCC[C@H]1CO.
What is the InChIKey of 2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is DZVBJQNMSIEQGA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-7-8-2-1-5-13(8)11(18)6-14-10(17)4-3-9(16)12-14/h3-4,8,15H,1-2,5-7H2,(H,12,16)/t8-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 253.26 g/mol, XLogP of -1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 66260544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).