3,4-dihydro-2H-furo[3,2-b][1,4]oxazine

C6H7NO2 — CID 20729655

IUPAC3,4-dihydro-2H-furo[3,2-b][1,4]oxazine
SMILESc1cc2c(o1)NCCO2
InChIInChI=1S/C6H7NO2/c1-3-9-6-5(1)8-4-2-7-6/h1,3,7H,2,4H2
InChIKeyBBYDQIKPJLECOV-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.08
Rot. Bonds

About 3,4-dihydro-2H-furo[3,2-b][1,4]oxazine

3,4-dihydro-2H-furo[3,2-b][1,4]oxazine (PubChem CID 20729655) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 3,4-dihydro-2H-furo[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name3,4-dihydro-2H-furo[3,2-b][1,4]oxazine
PubChem CID20729655
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name3,4-dihydro-2H-furo[3,2-b][1,4]oxazine
SMILESc1cc2c(o1)NCCO2
InChIInChI=1S/C6H7NO2/c1-3-9-6-5(1)8-4-2-7-6/h1,3,7H,2,4H2
InChIKeyBBYDQIKPJLECOV-UHFFFAOYSA-N
XLogP1.08
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
The IUPAC name of 3,4-dihydro-2H-furo[3,2-b][1,4]oxazine (CID 20729655) is 3,4-dihydro-2H-furo[3,2-b][1,4]oxazine.
What is the SMILES notation for 3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
The canonical SMILES for 3,4-dihydro-2H-furo[3,2-b][1,4]oxazine is c1cc2c(o1)NCCO2.
What is the InChIKey of 3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
The InChIKey is BBYDQIKPJLECOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-3-9-6-5(1)8-4-2-7-6/h1,3,7H,2,4H2.
What are the key properties of 3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
3,4-dihydro-2H-furo[3,2-b][1,4]oxazine has a molecular weight of 125.13 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-furo[3,2-b][1,4]oxazine is sourced from PubChem (CID 20729655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).