2-ethoxy-5-methyl-3,1-benzoxazin-4-one

C11H11NO3 — CID 504661

IUPAC2-ethoxy-5-methyl-3,1-benzoxazin-4-one
SMILESCCOc1nc2cccc(C)c2c(=O)o1
InChIInChI=1S/C11H11NO3/c1-3-14-11-12-8-6-4-5-7(2)9(8)10(13)15-11/h4-6H,3H2,1-2H3
InChIKeyRXRDLQPDTPLKJM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.90
Rot. Bonds2

About 2-ethoxy-5-methyl-3,1-benzoxazin-4-one

2-ethoxy-5-methyl-3,1-benzoxazin-4-one (PubChem CID 504661) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-ethoxy-5-methyl-3,1-benzoxazin-4-one
PubChem CID504661
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-ethoxy-5-methyl-3,1-benzoxazin-4-one
SMILESCCOc1nc2cccc(C)c2c(=O)o1
InChIInChI=1S/C11H11NO3/c1-3-14-11-12-8-6-4-5-7(2)9(8)10(13)15-11/h4-6H,3H2,1-2H3
InChIKeyRXRDLQPDTPLKJM-UHFFFAOYSA-N
XLogP1.90
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-5-methyl-3,1-benzoxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-ethoxy-5-methyl-3,1-benzoxazin-4-one (CID 504661) is 2-ethoxy-5-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-ethoxy-5-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-ethoxy-5-methyl-3,1-benzoxazin-4-one is CCOc1nc2cccc(C)c2c(=O)o1.
What is the InChIKey of 2-ethoxy-5-methyl-3,1-benzoxazin-4-one?
The InChIKey is RXRDLQPDTPLKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-3-14-11-12-8-6-4-5-7(2)9(8)10(13)15-11/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethoxy-5-methyl-3,1-benzoxazin-4-one?
2-ethoxy-5-methyl-3,1-benzoxazin-4-one has a molecular weight of 205.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 504661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).