2-(2-aminopropyl)-5-hydroxypyran-4-one

C8H11NO3 — CID 112712065

IUPAC2-(2-aminopropyl)-5-hydroxypyran-4-one
SMILESCC(N)Cc1cc(=O)c(O)co1
InChIInChI=1S/C8H11NO3/c1-5(9)2-6-3-7(10)8(11)4-12-6/h3-5,11H,2,9H2,1H3
InChIKeyMJNNZIAFVZMUJJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.24
Rot. Bonds2

About 2-(2-aminopropyl)-5-hydroxypyran-4-one

2-(2-aminopropyl)-5-hydroxypyran-4-one (PubChem CID 112712065) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-hydroxypyran-4-one
PubChem CID112712065
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(2-aminopropyl)-5-hydroxypyran-4-one
SMILESCC(N)Cc1cc(=O)c(O)co1
InChIInChI=1S/C8H11NO3/c1-5(9)2-6-3-7(10)8(11)4-12-6/h3-5,11H,2,9H2,1H3
InChIKeyMJNNZIAFVZMUJJ-UHFFFAOYSA-N
XLogP0.24
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-hydroxypyran-4-one?
The IUPAC name of 2-(2-aminopropyl)-5-hydroxypyran-4-one (CID 112712065) is 2-(2-aminopropyl)-5-hydroxypyran-4-one.
What is the SMILES notation for 2-(2-aminopropyl)-5-hydroxypyran-4-one?
The canonical SMILES for 2-(2-aminopropyl)-5-hydroxypyran-4-one is CC(N)Cc1cc(=O)c(O)co1.
What is the InChIKey of 2-(2-aminopropyl)-5-hydroxypyran-4-one?
The InChIKey is MJNNZIAFVZMUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(9)2-6-3-7(10)8(11)4-12-6/h3-5,11H,2,9H2,1H3.
What are the key properties of 2-(2-aminopropyl)-5-hydroxypyran-4-one?
2-(2-aminopropyl)-5-hydroxypyran-4-one has a molecular weight of 169.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-hydroxypyran-4-one is sourced from PubChem (CID 112712065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).