5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one

C13H13NO2 — CID 101401257

IUPAC5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one
SMILESCCc1c2n(c3ccccc13)C(=O)OCC2
InChIInChI=1S/C13H13NO2/c1-2-9-10-5-3-4-6-11(10)14-12(9)7-8-16-13(14)15/h3-6H,2,7-8H2,1H3
InChIKeyGOLFOEFAGMDFDC-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.74
Rot. Bonds1

About 5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one

5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one (PubChem CID 101401257) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one.

Molecular Properties

Compound Name5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one
PubChem CID101401257
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one
SMILESCCc1c2n(c3ccccc13)C(=O)OCC2
InChIInChI=1S/C13H13NO2/c1-2-9-10-5-3-4-6-11(10)14-12(9)7-8-16-13(14)15/h3-6H,2,7-8H2,1H3
InChIKeyGOLFOEFAGMDFDC-UHFFFAOYSA-N
XLogP2.74
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one?
The IUPAC name of 5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one (CID 101401257) is 5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one.
What is the SMILES notation for 5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one?
The canonical SMILES for 5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one is CCc1c2n(c3ccccc13)C(=O)OCC2.
What is the InChIKey of 5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one?
The InChIKey is GOLFOEFAGMDFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-9-10-5-3-4-6-11(10)14-12(9)7-8-16-13(14)15/h3-6H,2,7-8H2,1H3.
What are the key properties of 5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one?
5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one has a molecular weight of 215.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one is sourced from PubChem (CID 101401257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).