2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one

C13H13NO3 — CID 54550150

IUPAC2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one
SMILESCC=Cc1cccc2nc(OCC)oc(=O)c12
InChIInChI=1S/C13H13NO3/c1-3-6-9-7-5-8-10-11(9)12(15)17-13(14-10)16-4-2/h3,5-8H,4H2,1-2H3
InChIKeyZJICXJVSOKTMJJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.62
Rot. Bonds3

About 2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one

2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one (PubChem CID 54550150) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one
PubChem CID54550150
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one
SMILESCC=Cc1cccc2nc(OCC)oc(=O)c12
InChIInChI=1S/C13H13NO3/c1-3-6-9-7-5-8-10-11(9)12(15)17-13(14-10)16-4-2/h3,5-8H,4H2,1-2H3
InChIKeyZJICXJVSOKTMJJ-UHFFFAOYSA-N
XLogP2.62
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one (CID 54550150) is 2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one is CC=Cc1cccc2nc(OCC)oc(=O)c12.
What is the InChIKey of 2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one?
The InChIKey is ZJICXJVSOKTMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-6-9-7-5-8-10-11(9)12(15)17-13(14-10)16-4-2/h3,5-8H,4H2,1-2H3.
What are the key properties of 2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one?
2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one has a molecular weight of 231.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-prop-1-enyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 54550150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).