6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one

C10H9Cl2NO2 — CID 11322552

IUPAC6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one
SMILESCCN1Cc2cc(Cl)cc(Cl)c2OC1=O
InChIInChI=1S/C10H9Cl2NO2/c1-2-13-5-6-3-7(11)4-8(12)9(6)15-10(13)14/h3-4H,2,5H2,1H3
InChIKeyLPWJTSDFAPXUQC-UHFFFAOYSA-N
MW246.09 g/mol
LogP3.33
Rot. Bonds1

About 6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one

6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one (PubChem CID 11322552) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one
PubChem CID11322552
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one
SMILESCCN1Cc2cc(Cl)cc(Cl)c2OC1=O
InChIInChI=1S/C10H9Cl2NO2/c1-2-13-5-6-3-7(11)4-8(12)9(6)15-10(13)14/h3-4H,2,5H2,1H3
InChIKeyLPWJTSDFAPXUQC-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one?
The IUPAC name of 6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one (CID 11322552) is 6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one.
What is the SMILES notation for 6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one?
The canonical SMILES for 6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one is CCN1Cc2cc(Cl)cc(Cl)c2OC1=O.
What is the InChIKey of 6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one?
The InChIKey is LPWJTSDFAPXUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-2-13-5-6-3-7(11)4-8(12)9(6)15-10(13)14/h3-4H,2,5H2,1H3.
What are the key properties of 6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one?
6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one has a molecular weight of 246.09 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-ethyl-4H-1,3-benzoxazin-2-one is sourced from PubChem (CID 11322552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).