methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate

C11H14N2O3 — CID 106548435

IUPACmethyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)C(C1CC1)n1ncc(C)cc1=O
InChIInChI=1S/C11H14N2O3/c1-7-5-9(14)13(12-6-7)10(8-3-4-8)11(15)16-2/h5-6,8,10H,3-4H2,1-2H3
InChIKeyREAPLAYGWMFIIH-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.68
Rot. Bonds3

About methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate

methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate (PubChem CID 106548435) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate
PubChem CID106548435
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)C(C1CC1)n1ncc(C)cc1=O
InChIInChI=1S/C11H14N2O3/c1-7-5-9(14)13(12-6-7)10(8-3-4-8)11(15)16-2/h5-6,8,10H,3-4H2,1-2H3
InChIKeyREAPLAYGWMFIIH-UHFFFAOYSA-N
XLogP0.68
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-iodo-6-oxo-6H-pyridazin-1-yl)-4-methyl-pentanoic acid methyl ester
CID 66875251
4-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 143878452
methyl (2S)-2-(3-chloro-4-methyl-6-oxopyridazin-1-yl)-4-methylpentanoate
CID 168984542
methyl (2S)-2-(3-bromo-5-methyl-6-oxopyridazin-1-yl)-4-methylpentanoate
CID 168984577
Methyl 2-(3-chloro-4-methyl-6-oxopyridazin-1-yl)-4-methylpentanoate
CID 169744701
Methyl 2-(3-bromo-5-methyl-6-oxopyridazin-1-yl)-4-methylpentanoate
CID 169745044
methyl (2S)-2-(3-chloro-4-methyl-6-oxopyridazin-1-yl)-3-cyclopropylpropanoate
CID 170027288
Methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate
CID 106548388
2-Cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
CID 106548397
Ethyl 2-(4-methyl-6-oxopyridazin-1-yl)pentanoate
CID 106548402
Ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548434
2-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548444

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate (CID 106548435) is methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate is COC(=O)C(C1CC1)n1ncc(C)cc1=O.
What is the InChIKey of methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate?
The InChIKey is REAPLAYGWMFIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-5-9(14)13(12-6-7)10(8-3-4-8)11(15)16-2/h5-6,8,10H,3-4H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate?
methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate has a molecular weight of 222.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 106548435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).