6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one

C8H9NO3 — CID 82413935

IUPAC6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one
SMILESCNC1COc2ccoc2C1=O
InChIInChI=1S/C8H9NO3/c1-9-5-4-12-6-2-3-11-8(6)7(5)10/h2-3,5,9H,4H2,1H3
InChIKeyPUUOOFYOJTWUDD-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.44
Rot. Bonds1

About 6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one

6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one (PubChem CID 82413935) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one.

Molecular Properties

Compound Name6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one
PubChem CID82413935
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one
SMILESCNC1COc2ccoc2C1=O
InChIInChI=1S/C8H9NO3/c1-9-5-4-12-6-2-3-11-8(6)7(5)10/h2-3,5,9H,4H2,1H3
InChIKeyPUUOOFYOJTWUDD-UHFFFAOYSA-N
XLogP0.44
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one?
The IUPAC name of 6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one (CID 82413935) is 6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one.
What is the SMILES notation for 6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one?
The canonical SMILES for 6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one is CNC1COc2ccoc2C1=O.
What is the InChIKey of 6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one?
The InChIKey is PUUOOFYOJTWUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-9-5-4-12-6-2-3-11-8(6)7(5)10/h2-3,5,9H,4H2,1H3.
What are the key properties of 6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one?
6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one has a molecular weight of 167.16 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-5,6-dihydrofuro[3,2-b]pyran-7-one is sourced from PubChem (CID 82413935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).