8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one

C11H11NO4 — CID 23521640

IUPAC8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one
SMILESCCC1COc2ccc3[nH]c(=O)oc3c2O1
InChIInChI=1S/C11H11NO4/c1-2-6-5-14-8-4-3-7-9(10(8)15-6)16-11(13)12-7/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyKNSUJGCXLWOASP-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.67
Rot. Bonds1

About 8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one

8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one (PubChem CID 23521640) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one.

Molecular Properties

Compound Name8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one
PubChem CID23521640
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one
SMILESCCC1COc2ccc3[nH]c(=O)oc3c2O1
InChIInChI=1S/C11H11NO4/c1-2-6-5-14-8-4-3-7-9(10(8)15-6)16-11(13)12-7/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyKNSUJGCXLWOASP-UHFFFAOYSA-N
XLogP1.67
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one?
The IUPAC name of 8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one (CID 23521640) is 8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one.
What is the SMILES notation for 8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one?
The canonical SMILES for 8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one is CCC1COc2ccc3[nH]c(=O)oc3c2O1.
What is the InChIKey of 8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one?
The InChIKey is KNSUJGCXLWOASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-2-6-5-14-8-4-3-7-9(10(8)15-6)16-11(13)12-7/h3-4,6H,2,5H2,1H3,(H,12,13).
What are the key properties of 8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one?
8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one has a molecular weight of 221.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one is sourced from PubChem (CID 23521640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).