methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate

C12H15N3O5 — CID 43410291

IUPACmethyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H15N3O5/c1-20-12(19)8-3-2-6-14(8)11(18)7-15-10(17)5-4-9(16)13-15/h4-5,8H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyRVWGSTUIXKWOGO-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.30
Rot. Bonds3

About methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate

methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 43410291) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID43410291
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namemethyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H15N3O5/c1-20-12(19)8-3-2-6-14(8)11(18)7-15-10(17)5-4-9(16)13-15/h4-5,8H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyRVWGSTUIXKWOGO-UHFFFAOYSA-N
XLogP-1.30
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate (CID 43410291) is methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is RVWGSTUIXKWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-20-12(19)8-3-2-6-14(8)11(18)7-15-10(17)5-4-9(16)13-15/h4-5,8H,2-3,6-7H2,1H3,(H,13,16).
What are the key properties of methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 281.27 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).