4-(2-aminoethoxy)-2,5-dimethylfuran-3-one

C8H13NO3 — CID 174760439

IUPAC4-(2-aminoethoxy)-2,5-dimethylfuran-3-one
SMILESCC1=C(OCCN)C(=O)C(C)O1
InChIInChI=1S/C8H13NO3/c1-5-7(10)8(6(2)12-5)11-4-3-9/h5H,3-4,9H2,1-2H3
InChIKeyGQYAXOPIIRWMME-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.18
Rot. Bonds3

About 4-(2-aminoethoxy)-2,5-dimethylfuran-3-one

4-(2-aminoethoxy)-2,5-dimethylfuran-3-one (PubChem CID 174760439) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2,5-dimethylfuran-3-one.

Molecular Properties

Compound Name4-(2-aminoethoxy)-2,5-dimethylfuran-3-one
PubChem CID174760439
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-(2-aminoethoxy)-2,5-dimethylfuran-3-one
SMILESCC1=C(OCCN)C(=O)C(C)O1
InChIInChI=1S/C8H13NO3/c1-5-7(10)8(6(2)12-5)11-4-3-9/h5H,3-4,9H2,1-2H3
InChIKeyGQYAXOPIIRWMME-UHFFFAOYSA-N
XLogP0.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-2,5-dimethylfuran-3-one?
The IUPAC name of 4-(2-aminoethoxy)-2,5-dimethylfuran-3-one (CID 174760439) is 4-(2-aminoethoxy)-2,5-dimethylfuran-3-one.
What is the SMILES notation for 4-(2-aminoethoxy)-2,5-dimethylfuran-3-one?
The canonical SMILES for 4-(2-aminoethoxy)-2,5-dimethylfuran-3-one is CC1=C(OCCN)C(=O)C(C)O1.
What is the InChIKey of 4-(2-aminoethoxy)-2,5-dimethylfuran-3-one?
The InChIKey is GQYAXOPIIRWMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5-7(10)8(6(2)12-5)11-4-3-9/h5H,3-4,9H2,1-2H3.
What are the key properties of 4-(2-aminoethoxy)-2,5-dimethylfuran-3-one?
4-(2-aminoethoxy)-2,5-dimethylfuran-3-one has a molecular weight of 171.20 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-2,5-dimethylfuran-3-one is sourced from PubChem (CID 174760439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).