1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H15N3O4 — CID 43170939

IUPAC1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1N=C(C(=O)N2CCCC2C(=O)O)CCC1=O
InChIInChI=1S/C11H15N3O4/c1-13-9(15)5-4-7(12-13)10(16)14-6-2-3-8(14)11(17)18/h8H,2-6H2,1H3,(H,17,18)
InChIKeyIMSLHUWQVGQYMI-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.33
Rot. Bonds2

About 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43170939) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43170939
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1N=C(C(=O)N2CCCC2C(=O)O)CCC1=O
InChIInChI=1S/C11H15N3O4/c1-13-9(15)5-4-7(12-13)10(16)14-6-2-3-8(14)11(17)18/h8H,2-6H2,1H3,(H,17,18)
InChIKeyIMSLHUWQVGQYMI-UHFFFAOYSA-N
XLogP-0.33
TPSA90.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 43170939) is 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid is CN1N=C(C(=O)N2CCCC2C(=O)O)CCC1=O.
What is the InChIKey of 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IMSLHUWQVGQYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13-9(15)5-4-7(12-13)10(16)14-6-2-3-8(14)11(17)18/h8H,2-6H2,1H3,(H,17,18).
What are the key properties of 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43170939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).