5-ethyl-1,3,2-benzodioxazole

C8H9NO2 — CID 177309754

IUPAC5-ethyl-1,3,2-benzodioxazole
SMILESCCc1ccc2c(c1)ONO2
InChIInChI=1S/C8H9NO2/c1-2-6-3-4-7-8(5-6)11-9-10-7/h3-5,9H,2H2,1H3
InChIKeyDTUMPMRLVMKCHY-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.44
Rot. Bonds1

About 5-ethyl-1,3,2-benzodioxazole

5-ethyl-1,3,2-benzodioxazole (PubChem CID 177309754) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 5-ethyl-1,3,2-benzodioxazole.

Molecular Properties

Compound Name5-ethyl-1,3,2-benzodioxazole
PubChem CID177309754
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name5-ethyl-1,3,2-benzodioxazole
SMILESCCc1ccc2c(c1)ONO2
InChIInChI=1S/C8H9NO2/c1-2-6-3-4-7-8(5-6)11-9-10-7/h3-5,9H,2H2,1H3
InChIKeyDTUMPMRLVMKCHY-UHFFFAOYSA-N
XLogP1.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3355803
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
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5-ethyl-1,3-benzodioxole;N-methylethanamine
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,2-benzodioxazole?
The IUPAC name of 5-ethyl-1,3,2-benzodioxazole (CID 177309754) is 5-ethyl-1,3,2-benzodioxazole.
What is the SMILES notation for 5-ethyl-1,3,2-benzodioxazole?
The canonical SMILES for 5-ethyl-1,3,2-benzodioxazole is CCc1ccc2c(c1)ONO2.
What is the InChIKey of 5-ethyl-1,3,2-benzodioxazole?
The InChIKey is DTUMPMRLVMKCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-6-3-4-7-8(5-6)11-9-10-7/h3-5,9H,2H2,1H3.
What are the key properties of 5-ethyl-1,3,2-benzodioxazole?
5-ethyl-1,3,2-benzodioxazole has a molecular weight of 151.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,2-benzodioxazole is sourced from PubChem (CID 177309754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).