2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C14H18N2O5 — CID 742040

IUPAC2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCCC[C@@H]1C[C@@](C)(C(=O)Cn2[nH]c(=O)ccc2=O)OC1=O
InChIInChI=1S/C14H18N2O5/c1-3-4-9-7-14(2,21-13(9)20)10(17)8-16-12(19)6-5-11(18)15-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)/t9-,14+/m1/s1
InChIKeyOYHXDPMAFYHDNG-OTYXRUKQSA-N
MW294.31 g/mol
LogP0.23
Rot. Bonds5

About 2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 742040) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID742040
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCCC[C@@H]1C[C@@](C)(C(=O)Cn2[nH]c(=O)ccc2=O)OC1=O
InChIInChI=1S/C14H18N2O5/c1-3-4-9-7-14(2,21-13(9)20)10(17)8-16-12(19)6-5-11(18)15-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)/t9-,14+/m1/s1
InChIKeyOYHXDPMAFYHDNG-OTYXRUKQSA-N
XLogP0.23
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 742040) is 2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is CCC[C@@H]1C[C@@](C)(C(=O)Cn2[nH]c(=O)ccc2=O)OC1=O.
What is the InChIKey of 2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is OYHXDPMAFYHDNG-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-4-9-7-14(2,21-13(9)20)10(17)8-16-12(19)6-5-11(18)15-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)/t9-,14+/m1/s1.
What are the key properties of 2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 294.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 742040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).