2-(1-aminoethyl)-5-hydroxypyran-4-one

C7H9NO3 — CID 54532309

IUPAC2-(1-aminoethyl)-5-hydroxypyran-4-one
SMILESCC(N)c1cc(=O)c(O)co1
InChIInChI=1S/C7H9NO3/c1-4(8)7-2-5(9)6(10)3-11-7/h2-4,10H,8H2,1H3
InChIKeyYXJLVYNRZCNNRG-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.37
Rot. Bonds1

About 2-(1-aminoethyl)-5-hydroxypyran-4-one

2-(1-aminoethyl)-5-hydroxypyran-4-one (PubChem CID 54532309) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-hydroxypyran-4-one
PubChem CID54532309
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(1-aminoethyl)-5-hydroxypyran-4-one
SMILESCC(N)c1cc(=O)c(O)co1
InChIInChI=1S/C7H9NO3/c1-4(8)7-2-5(9)6(10)3-11-7/h2-4,10H,8H2,1H3
InChIKeyYXJLVYNRZCNNRG-UHFFFAOYSA-N
XLogP0.37
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-hydroxypyran-4-one?
The IUPAC name of 2-(1-aminoethyl)-5-hydroxypyran-4-one (CID 54532309) is 2-(1-aminoethyl)-5-hydroxypyran-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-hydroxypyran-4-one?
The canonical SMILES for 2-(1-aminoethyl)-5-hydroxypyran-4-one is CC(N)c1cc(=O)c(O)co1.
What is the InChIKey of 2-(1-aminoethyl)-5-hydroxypyran-4-one?
The InChIKey is YXJLVYNRZCNNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4(8)7-2-5(9)6(10)3-11-7/h2-4,10H,8H2,1H3.
What are the key properties of 2-(1-aminoethyl)-5-hydroxypyran-4-one?
2-(1-aminoethyl)-5-hydroxypyran-4-one has a molecular weight of 155.15 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-hydroxypyran-4-one is sourced from PubChem (CID 54532309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).