2-(2-aminoethyl)-3-hydroxypyran-4-one

C7H9NO3 — CID 112711902

IUPAC2-(2-aminoethyl)-3-hydroxypyran-4-one
SMILESNCCc1occc(=O)c1O
InChIInChI=1S/C7H9NO3/c8-3-1-6-7(10)5(9)2-4-11-6/h2,4,10H,1,3,8H2
InChIKeyRRVPPQCYCCODSY-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.15
Rot. Bonds2

About 2-(2-aminoethyl)-3-hydroxypyran-4-one

2-(2-aminoethyl)-3-hydroxypyran-4-one (PubChem CID 112711902) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-hydroxypyran-4-one
PubChem CID112711902
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(2-aminoethyl)-3-hydroxypyran-4-one
SMILESNCCc1occc(=O)c1O
InChIInChI=1S/C7H9NO3/c8-3-1-6-7(10)5(9)2-4-11-6/h2,4,10H,1,3,8H2
InChIKeyRRVPPQCYCCODSY-UHFFFAOYSA-N
XLogP-0.15
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-hydroxypyran-4-one?
The IUPAC name of 2-(2-aminoethyl)-3-hydroxypyran-4-one (CID 112711902) is 2-(2-aminoethyl)-3-hydroxypyran-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-3-hydroxypyran-4-one?
The canonical SMILES for 2-(2-aminoethyl)-3-hydroxypyran-4-one is NCCc1occc(=O)c1O.
What is the InChIKey of 2-(2-aminoethyl)-3-hydroxypyran-4-one?
The InChIKey is RRVPPQCYCCODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c8-3-1-6-7(10)5(9)2-4-11-6/h2,4,10H,1,3,8H2.
What are the key properties of 2-(2-aminoethyl)-3-hydroxypyran-4-one?
2-(2-aminoethyl)-3-hydroxypyran-4-one has a molecular weight of 155.15 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-hydroxypyran-4-one is sourced from PubChem (CID 112711902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).