methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate

C12H12N2O3 — CID 723035

IUPACmethyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate
SMILESCOC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C12H12N2O3/c1-8-9-5-3-4-6-10(9)12(16)14(13-8)7-11(15)17-2/h3-6H,7H2,1-2H3
InChIKeyMJLCBZCUPOOFCB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.88
Rot. Bonds2

About methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate

methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate (PubChem CID 723035) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate
PubChem CID723035
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namemethyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate
SMILESCOC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C12H12N2O3/c1-8-9-5-3-4-6-10(9)12(16)14(13-8)7-11(15)17-2/h3-6H,7H2,1-2H3
InChIKeyMJLCBZCUPOOFCB-UHFFFAOYSA-N
XLogP0.88
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate (CID 723035) is methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate is COC(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate?
The InChIKey is MJLCBZCUPOOFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-9-5-3-4-6-10(9)12(16)14(13-8)7-11(15)17-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate?
methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate has a molecular weight of 232.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-1-oxophthalazin-2-yl)acetate is sourced from PubChem (CID 723035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).