2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one

C8H11NO3 — CID 112712066

IUPAC2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one
SMILESCC(CN)c1cc(=O)c(O)co1
InChIInChI=1S/C8H11NO3/c1-5(3-9)8-2-6(10)7(11)4-12-8/h2,4-5,11H,3,9H2,1H3
InChIKeyNCTOOOIJZZFULU-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.41
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one

2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one (PubChem CID 112712066) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one
PubChem CID112712066
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one
SMILESCC(CN)c1cc(=O)c(O)co1
InChIInChI=1S/C8H11NO3/c1-5(3-9)8-2-6(10)7(11)4-12-8/h2,4-5,11H,3,9H2,1H3
InChIKeyNCTOOOIJZZFULU-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one?
The IUPAC name of 2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one (CID 112712066) is 2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one?
The canonical SMILES for 2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one is CC(CN)c1cc(=O)c(O)co1.
What is the InChIKey of 2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one?
The InChIKey is NCTOOOIJZZFULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(3-9)8-2-6(10)7(11)4-12-8/h2,4-5,11H,3,9H2,1H3.
What are the key properties of 2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one?
2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one has a molecular weight of 169.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-5-hydroxypyran-4-one is sourced from PubChem (CID 112712066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).