(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

C13H19N3O4 — CID 55449701

IUPAC(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCC(OC(=O)C1=NN(C)C(=O)CC1)C(=O)N1CCCC1
InChIInChI=1S/C13H19N3O4/c1-9(12(18)16-7-3-4-8-16)20-13(19)10-5-6-11(17)15(2)14-10/h9H,3-8H2,1-2H3
InChIKeyGOLUXIOYNCRBSO-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.15
Rot. Bonds3

About (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (PubChem CID 55449701) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
PubChem CID55449701
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCC(OC(=O)C1=NN(C)C(=O)CC1)C(=O)N1CCCC1
InChIInChI=1S/C13H19N3O4/c1-9(12(18)16-7-3-4-8-16)20-13(19)10-5-6-11(17)15(2)14-10/h9H,3-8H2,1-2H3
InChIKeyGOLUXIOYNCRBSO-UHFFFAOYSA-N
XLogP0.15
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 39866549
6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 93040651
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] acetate
CID 168848786
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392603
6-(4-acetylpiperazine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one
CID 47016916
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 71938043
(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66124225
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 7284106
ethyl (3S)-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 81338252
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 41052013
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 7184728
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
CID 7950325

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (CID 55449701) is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is CC(OC(=O)C1=NN(C)C(=O)CC1)C(=O)N1CCCC1.
What is the InChIKey of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is GOLUXIOYNCRBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(12(18)16-7-3-4-8-16)20-13(19)10-5-6-11(17)15(2)14-10/h9H,3-8H2,1-2H3.
What are the key properties of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 55449701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).