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

C10H11NO3 — CID 82063398

IUPAC4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(O)cc21
InChIInChI=1S/C10H11NO3/c1-2-11-8-5-7(12)3-4-9(8)14-6-10(11)13/h3-5,12H,2,6H2,1H3
InChIKeyVZOREAOJDZCCLF-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.14
Rot. Bonds1

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

4-ethyl-6-hydroxy-1,4-benzoxazin-3-one (PubChem CID 82063398) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-ethyl-6-hydroxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
PubChem CID82063398
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(O)cc21
InChIInChI=1S/C10H11NO3/c1-2-11-8-5-7(12)3-4-9(8)14-6-10(11)13/h3-5,12H,2,6H2,1H3
InChIKeyVZOREAOJDZCCLF-UHFFFAOYSA-N
XLogP1.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hexyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063394
4-ethyl-6-fluoro-1,4-benzoxazin-3-one
CID 59525216
4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one
CID 82063378
6-hydroxy-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 82063421
6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 82063360
6-(2-bromopropyl)-4-ethyl-1,4-benzoxazin-3-one
CID 82254891
4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 100830352
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide
CID 52904693
3-chloro-4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)butanoic acid
CID 82351978
5-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)pentanal
CID 82255672
3-[[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 94723734
4-ethyl-6-[hydroxy(piperidin-4-yl)methyl]-1,4-benzoxazin-3-one
CID 82339668

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-hydroxy-1,4-benzoxazin-3-one?
The IUPAC name of 4-ethyl-6-hydroxy-1,4-benzoxazin-3-one (CID 82063398) is 4-ethyl-6-hydroxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-ethyl-6-hydroxy-1,4-benzoxazin-3-one?
The canonical SMILES for 4-ethyl-6-hydroxy-1,4-benzoxazin-3-one is CCN1C(=O)COc2ccc(O)cc21.
What is the InChIKey of 4-ethyl-6-hydroxy-1,4-benzoxazin-3-one?
The InChIKey is VZOREAOJDZCCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-11-8-5-7(12)3-4-9(8)14-6-10(11)13/h3-5,12H,2,6H2,1H3.
What are the key properties of 4-ethyl-6-hydroxy-1,4-benzoxazin-3-one?
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one has a molecular weight of 193.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-hydroxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 82063398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).