3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione

C15H14N2O4 — CID 157308807

IUPAC3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione
SMILESO=C1CCC(c2coc3cc4c(cc23)OCCN4)C(=O)N1
InChIInChI=1S/C15H14N2O4/c18-14-2-1-8(15(19)17-14)10-7-21-12-6-11-13(5-9(10)12)20-4-3-16-11/h5-8,16H,1-4H2,(H,17,18,19)
InChIKeyUVXSUNSGDPVYHJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.76
Rot. Bonds1

About 3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione

3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione (PubChem CID 157308807) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione
PubChem CID157308807
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione
SMILESO=C1CCC(c2coc3cc4c(cc23)OCCN4)C(=O)N1
InChIInChI=1S/C15H14N2O4/c18-14-2-1-8(15(19)17-14)10-7-21-12-6-11-13(5-9(10)12)20-4-3-16-11/h5-8,16H,1-4H2,(H,17,18,19)
InChIKeyUVXSUNSGDPVYHJ-UHFFFAOYSA-N
XLogP1.76
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione (CID 157308807) is 3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione is O=C1CCC(c2coc3cc4c(cc23)OCCN4)C(=O)N1.
What is the InChIKey of 3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione?
The InChIKey is UVXSUNSGDPVYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14-2-1-8(15(19)17-14)10-7-21-12-6-11-13(5-9(10)12)20-4-3-16-11/h5-8,16H,1-4H2,(H,17,18,19).
What are the key properties of 3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione?
3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione has a molecular weight of 286.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione is sourced from PubChem (CID 157308807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).