6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one

C10H13NO3 — CID 117159146

IUPAC6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one
SMILESCc1ccc(C2(C)CNC(=O)CO2)o1
InChIInChI=1S/C10H13NO3/c1-7-3-4-8(14-7)10(2)6-11-9(12)5-13-10/h3-4H,5-6H2,1-2H3,(H,11,12)
InChIKeyJWYVFBPNPICETI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.95
Rot. Bonds1

About 6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one

6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one (PubChem CID 117159146) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one.

Molecular Properties

Compound Name6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one
PubChem CID117159146
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one
SMILESCc1ccc(C2(C)CNC(=O)CO2)o1
InChIInChI=1S/C10H13NO3/c1-7-3-4-8(14-7)10(2)6-11-9(12)5-13-10/h3-4H,5-6H2,1-2H3,(H,11,12)
InChIKeyJWYVFBPNPICETI-UHFFFAOYSA-N
XLogP0.95
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one?
The IUPAC name of 6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one (CID 117159146) is 6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one.
What is the SMILES notation for 6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one?
The canonical SMILES for 6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one is Cc1ccc(C2(C)CNC(=O)CO2)o1.
What is the InChIKey of 6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one?
The InChIKey is JWYVFBPNPICETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-3-4-8(14-7)10(2)6-11-9(12)5-13-10/h3-4H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one?
6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one has a molecular weight of 195.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one is sourced from PubChem (CID 117159146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).