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

C10H9NO2 — CID 86094198

IUPAC3-ethyl-1,4-benzoxazin-2-one
SMILESCCc1nc2ccccc2oc1=O
InChIInChI=1S/C10H9NO2/c1-2-7-10(12)13-9-6-4-3-5-8(9)11-7/h3-6H,2H2,1H3
InChIKeyMBANJYBCMHSGNH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.75
Rot. Bonds1

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

3-ethyl-1,4-benzoxazin-2-one (PubChem CID 86094198) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-ethyl-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name3-ethyl-1,4-benzoxazin-2-one
PubChem CID86094198
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-ethyl-1,4-benzoxazin-2-one
SMILESCCc1nc2ccccc2oc1=O
InChIInChI=1S/C10H9NO2/c1-2-7-10(12)13-9-6-4-3-5-8(9)11-7/h3-6H,2H2,1H3
InChIKeyMBANJYBCMHSGNH-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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Related Compounds

3-hexyl-1,4-benzoxazin-2-one
CID 102299494
3-(benzenesulfonylmethyl)-1,4-benzoxazin-2-one
CID 802681
2-ethyl-1,3-benzoxazole
CID 23239
3-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-benzoxazin-2-one
CID 7068860
3,4-diethylchromen-2-one
CID 11680028
3-(4-bromophenyl)-1,4-benzoxazin-2-one
CID 72696232
3-(furan-2-yl)-1,4-benzoxazin-2-one
CID 164680158
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
1,3-benzoxazol-2-yl(trimethyl)silane
CID 12934592
2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 70835474
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
3-[(Z)-2-hydroxy-2-(5-methylfuran-2-yl)ethenyl]-1,4-benzoxazin-2-one
CID 135447246

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-benzoxazin-2-one?
The IUPAC name of 3-ethyl-1,4-benzoxazin-2-one (CID 86094198) is 3-ethyl-1,4-benzoxazin-2-one.
What is the SMILES notation for 3-ethyl-1,4-benzoxazin-2-one?
The canonical SMILES for 3-ethyl-1,4-benzoxazin-2-one is CCc1nc2ccccc2oc1=O.
What is the InChIKey of 3-ethyl-1,4-benzoxazin-2-one?
The InChIKey is MBANJYBCMHSGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-7-10(12)13-9-6-4-3-5-8(9)11-7/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-1,4-benzoxazin-2-one?
3-ethyl-1,4-benzoxazin-2-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 3-ethyl-1,4-benzoxazin-2-one is sourced from PubChem (CID 86094198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).