(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate

C12H15N3O4 — CID 154807735

IUPAC(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCc1cc(=O)c(COC(=O)[C@@H]2CCC(=O)N2C)n[nH]1
InChIInChI=1S/C12H15N3O4/c1-7-5-10(16)8(14-13-7)6-19-12(18)9-3-4-11(17)15(9)2/h5,9H,3-4,6H2,1-2H3,(H,13,16)/t9-/m0/s1
InChIKeyCIMQRCMHTNIHAA-VIFPVBQESA-N
MW265.27 g/mol
LogP-0.26
Rot. Bonds3

About (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate

(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 154807735) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID154807735
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCc1cc(=O)c(COC(=O)[C@@H]2CCC(=O)N2C)n[nH]1
InChIInChI=1S/C12H15N3O4/c1-7-5-10(16)8(14-13-7)6-19-12(18)9-3-4-11(17)15(9)2/h5,9H,3-4,6H2,1-2H3,(H,13,16)/t9-/m0/s1
InChIKeyCIMQRCMHTNIHAA-VIFPVBQESA-N
XLogP-0.26
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate (CID 154807735) is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate is Cc1cc(=O)c(COC(=O)[C@@H]2CCC(=O)N2C)n[nH]1.
What is the InChIKey of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is CIMQRCMHTNIHAA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-5-10(16)8(14-13-7)6-19-12(18)9-3-4-11(17)15(9)2/h5,9H,3-4,6H2,1-2H3,(H,13,16)/t9-/m0/s1.
What are the key properties of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate?
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 265.27 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 154807735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).