methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate

C11H11NO4 — CID 10798997

IUPACmethyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)OC(C)C(=O)N2
InChIInChI=1S/C11H11NO4/c1-6-10(13)12-8-4-3-7(11(14)15-2)5-9(8)16-6/h3-6H,1-2H3,(H,12,13)
InChIKeyOLLPWCOGKLTZEW-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.19
Rot. Bonds1

About methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate

methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate (PubChem CID 10798997) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate
PubChem CID10798997
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namemethyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)OC(C)C(=O)N2
InChIInChI=1S/C11H11NO4/c1-6-10(13)12-8-4-3-7(11(14)15-2)5-9(8)16-6/h3-6H,1-2H3,(H,12,13)
InChIKeyOLLPWCOGKLTZEW-UHFFFAOYSA-N
XLogP1.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The IUPAC name of methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate (CID 10798997) is methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The canonical SMILES for methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate is COC(=O)c1ccc2c(c1)OC(C)C(=O)N2.
What is the InChIKey of methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The InChIKey is OLLPWCOGKLTZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-6-10(13)12-8-4-3-7(11(14)15-2)5-9(8)16-6/h3-6H,1-2H3,(H,12,13).
What are the key properties of methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate?
methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate has a molecular weight of 221.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate is sourced from PubChem (CID 10798997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).