2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one

C11H13NO2 — CID 141238327

IUPAC2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one
SMILESCCN1CC(=O)c2cc(C)ccc2O1
InChIInChI=1S/C11H13NO2/c1-3-12-7-10(13)9-6-8(2)4-5-11(9)14-12/h4-6H,3,7H2,1-2H3
InChIKeyNJNLWYAHJWRHNR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.81
Rot. Bonds1

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

2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one (PubChem CID 141238327) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one.

Molecular Properties

Compound Name2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one
PubChem CID141238327
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one
SMILESCCN1CC(=O)c2cc(C)ccc2O1
InChIInChI=1S/C11H13NO2/c1-3-12-7-10(13)9-6-8(2)4-5-11(9)14-12/h4-6H,3,7H2,1-2H3
InChIKeyNJNLWYAHJWRHNR-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-ethyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
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5-methyl-1-benzofuran-2,3-dione
CID 56974146
6-methyl-3-propyl-2,3-dihydrochromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one?
The IUPAC name of 2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one (CID 141238327) is 2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one.
What is the SMILES notation for 2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one?
The canonical SMILES for 2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one is CCN1CC(=O)c2cc(C)ccc2O1.
What is the InChIKey of 2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one?
The InChIKey is NJNLWYAHJWRHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-12-7-10(13)9-6-8(2)4-5-11(9)14-12/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one?
2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-3H-1,2-benzoxazin-4-one is sourced from PubChem (CID 141238327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).