2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide

C13H16N2O4 — CID 87228115

IUPAC2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide
SMILESCCOc1nc2ccc(C)cc2c(=O)o1.CNC=O
InChIInChI=1S/C11H11NO3.C2H5NO/c1-3-14-11-12-9-5-4-7(2)6-8(9)10(13)15-11;1-3-2-4/h4-6H,3H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyCBONETRMVGNKTH-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.26
Rot. Bonds3

About 2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide

2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide (PubChem CID 87228115) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide.

Molecular Properties

Compound Name2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide
PubChem CID87228115
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide
SMILESCCOc1nc2ccc(C)cc2c(=O)o1.CNC=O
InChIInChI=1S/C11H11NO3.C2H5NO/c1-3-14-11-12-9-5-4-7(2)6-8(9)10(13)15-11;1-3-2-4/h4-6H,3H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyCBONETRMVGNKTH-UHFFFAOYSA-N
XLogP1.26
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide?
The IUPAC name of 2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide (CID 87228115) is 2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide.
What is the SMILES notation for 2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide?
The canonical SMILES for 2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide is CCOc1nc2ccc(C)cc2c(=O)o1.CNC=O.
What is the InChIKey of 2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide?
The InChIKey is CBONETRMVGNKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3.C2H5NO/c1-3-14-11-12-9-5-4-7(2)6-8(9)10(13)15-11;1-3-2-4/h4-6H,3H2,1-2H3;2H,1H3,(H,3,4).
What are the key properties of 2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide?
2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide has a molecular weight of 264.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methyl-3,1-benzoxazin-4-one;N-methylformamide is sourced from PubChem (CID 87228115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).