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

C11H15N3O4 — CID 61411314

IUPAC2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCC1CO
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)
InChIKeyDZVBJQNMSIEQGA-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.48
Rot. Bonds3

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

2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 61411314) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID61411314
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCC1CO
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)
InChIKeyDZVBJQNMSIEQGA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 61411314) is 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCCC1CO.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is DZVBJQNMSIEQGA-UHFFFAOYSA-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).
What are the key properties of 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[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-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 61411314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).