6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one

C10H11NO2 — CID 89345906

IUPAC6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCCc1ccc2c(c1)C(=O)NCO2
InChIInChI=1S/C10H11NO2/c1-2-7-3-4-9-8(5-7)10(12)11-6-13-9/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeySZHWMUAFUTVABZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.33
Rot. Bonds1

About 6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one

6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 89345906) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID89345906
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCCc1ccc2c(c1)C(=O)NCO2
InChIInChI=1S/C10H11NO2/c1-2-7-3-4-9-8(5-7)10(12)11-6-13-9/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeySZHWMUAFUTVABZ-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-2,3-dihydro-1,3-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 6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one (CID 89345906) is 6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one is CCc1ccc2c(c1)C(=O)NCO2.
What is the InChIKey of 6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is SZHWMUAFUTVABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-7-3-4-9-8(5-7)10(12)11-6-13-9/h3-5H,2,6H2,1H3,(H,11,12).
What are the key properties of 6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one?
6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 89345906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).