methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate

C11H15N3O4 — CID 43409988

IUPACmethyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H15N3O4/c1-18-11(17)8-3-2-6-14(8)10(16)7-4-5-9(15)13-12-7/h8H,2-6H2,1H3,(H,13,15)
InChIKeyPTOBOYIDGCDWJB-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.58
Rot. Bonds2

About methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43409988) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43409988
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H15N3O4/c1-18-11(17)8-3-2-6-14(8)10(16)7-4-5-9(15)13-12-7/h8H,2-6H2,1H3,(H,13,15)
InChIKeyPTOBOYIDGCDWJB-UHFFFAOYSA-N
XLogP-0.58
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate (CID 43409988) is methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C1=NNC(=O)CC1.
What is the InChIKey of methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is PTOBOYIDGCDWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-18-11(17)8-3-2-6-14(8)10(16)7-4-5-9(15)13-12-7/h8H,2-6H2,1H3,(H,13,15).
What are the key properties of methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 253.26 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43409988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).