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

C12H13NO4 — CID 70641618

IUPAC3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one
SMILESCCN1COc2cc3c(cc2C1=O)OCCO3
InChIInChI=1S/C12H13NO4/c1-2-13-7-17-9-6-11-10(15-3-4-16-11)5-8(9)12(13)14/h5-6H,2-4,7H2,1H3
InChIKeyDTINCVGRLCBSCB-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.27
Rot. Bonds1

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

3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one (PubChem CID 70641618) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one.

Molecular Properties

Compound Name3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one
PubChem CID70641618
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one
SMILESCCN1COc2cc3c(cc2C1=O)OCCO3
InChIInChI=1S/C12H13NO4/c1-2-13-7-17-9-6-11-10(15-3-4-16-11)5-8(9)12(13)14/h5-6H,2-4,7H2,1H3
InChIKeyDTINCVGRLCBSCB-UHFFFAOYSA-N
XLogP1.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one?
The IUPAC name of 3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one (CID 70641618) is 3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one.
What is the SMILES notation for 3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one?
The canonical SMILES for 3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one is CCN1COc2cc3c(cc2C1=O)OCCO3.
What is the InChIKey of 3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one?
The InChIKey is DTINCVGRLCBSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-13-7-17-9-6-11-10(15-3-4-16-11)5-8(9)12(13)14/h5-6H,2-4,7H2,1H3.
What are the key properties of 3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one?
3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one has a molecular weight of 235.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one is sourced from PubChem (CID 70641618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).