6-ethyl-4H-1,4-benzoxazin-3-one

C10H11NO2 — CID 50878733

IUPAC6-ethyl-4H-1,4-benzoxazin-3-one
SMILESCCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H11NO2/c1-2-7-3-4-9-8(5-7)11-10(12)6-13-9/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyTWYRMESOIJMLJN-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.58
Rot. Bonds1

About 6-ethyl-4H-1,4-benzoxazin-3-one

6-ethyl-4H-1,4-benzoxazin-3-one (PubChem CID 50878733) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-ethyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-ethyl-4H-1,4-benzoxazin-3-one
PubChem CID50878733
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-ethyl-4H-1,4-benzoxazin-3-one
SMILESCCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H11NO2/c1-2-7-3-4-9-8(5-7)11-10(12)6-13-9/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyTWYRMESOIJMLJN-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-ethyl-4H-1,4-benzoxazin-3-one (CID 50878733) is 6-ethyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-ethyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-ethyl-4H-1,4-benzoxazin-3-one is CCc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-ethyl-4H-1,4-benzoxazin-3-one?
The InChIKey is TWYRMESOIJMLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-7-3-4-9-8(5-7)11-10(12)6-13-9/h3-5H,2,6H2,1H3,(H,11,12).
What are the key properties of 6-ethyl-4H-1,4-benzoxazin-3-one?
6-ethyl-4H-1,4-benzoxazin-3-one has a molecular weight of 177.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 50878733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).