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

C10H9NO2 — CID 18551274

IUPAC4-ethyl-2,3-benzoxazin-1-one
SMILESCCc1noc(=O)c2ccccc12
InChIInChI=1S/C10H9NO2/c1-2-9-7-5-3-4-6-8(7)10(12)13-11-9/h3-6H,2H2,1H3
InChIKeyBUHIMLPWWZRUEY-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.75
Rot. Bonds1

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

4-ethyl-2,3-benzoxazin-1-one (PubChem CID 18551274) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-ethyl-2,3-benzoxazin-1-one.

Molecular Properties

Compound Name4-ethyl-2,3-benzoxazin-1-one
PubChem CID18551274
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-ethyl-2,3-benzoxazin-1-one
SMILESCCc1noc(=O)c2ccccc12
InChIInChI=1S/C10H9NO2/c1-2-9-7-5-3-4-6-8(7)10(12)13-11-9/h3-6H,2H2,1H3
InChIKeyBUHIMLPWWZRUEY-UHFFFAOYSA-N
XLogP1.75
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-benzoxazin-1-one?
The IUPAC name of 4-ethyl-2,3-benzoxazin-1-one (CID 18551274) is 4-ethyl-2,3-benzoxazin-1-one.
What is the SMILES notation for 4-ethyl-2,3-benzoxazin-1-one?
The canonical SMILES for 4-ethyl-2,3-benzoxazin-1-one is CCc1noc(=O)c2ccccc12.
What is the InChIKey of 4-ethyl-2,3-benzoxazin-1-one?
The InChIKey is BUHIMLPWWZRUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-9-7-5-3-4-6-8(7)10(12)13-11-9/h3-6H,2H2,1H3.
What are the key properties of 4-ethyl-2,3-benzoxazin-1-one?
4-ethyl-2,3-benzoxazin-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-benzoxazin-1-one is sourced from PubChem (CID 18551274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).