2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C13H20N4O4 — CID 66052369

IUPAC2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCN(C)CC1CC(O)CN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H20N4O4/c1-15(2)6-9-5-10(18)7-16(9)13(21)8-17-12(20)4-3-11(19)14-17/h3-4,9-10,18H,5-8H2,1-2H3,(H,14,19)
InChIKeyGTGUKKVBHFMNEA-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.94
Rot. Bonds4

About 2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 66052369) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID66052369
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCN(C)CC1CC(O)CN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H20N4O4/c1-15(2)6-9-5-10(18)7-16(9)13(21)8-17-12(20)4-3-11(19)14-17/h3-4,9-10,18H,5-8H2,1-2H3,(H,14,19)
InChIKeyGTGUKKVBHFMNEA-UHFFFAOYSA-N
XLogP-1.94
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 66052369) is 2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is CN(C)CC1CC(O)CN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is GTGUKKVBHFMNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-15(2)6-9-5-10(18)7-16(9)13(21)8-17-12(20)4-3-11(19)14-17/h3-4,9-10,18H,5-8H2,1-2H3,(H,14,19).
What are the key properties of 2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 296.33 g/mol, XLogP of -1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 66052369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).