2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one

C8H11NO3 — CID 112712062

IUPAC2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one
SMILESCC(CN)c1occc(=O)c1O
InChIInChI=1S/C8H11NO3/c1-5(4-9)8-7(11)6(10)2-3-12-8/h2-3,5,11H,4,9H2,1H3
InChIKeyIYAAKKKGZIHIRF-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.41
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one

2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one (PubChem CID 112712062) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one
PubChem CID112712062
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one
SMILESCC(CN)c1occc(=O)c1O
InChIInChI=1S/C8H11NO3/c1-5(4-9)8-7(11)6(10)2-3-12-8/h2-3,5,11H,4,9H2,1H3
InChIKeyIYAAKKKGZIHIRF-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)-3-hydroxypyran-4-one?
The IUPAC name of 2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one (CID 112712062) is 2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one?
The canonical SMILES for 2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one is CC(CN)c1occc(=O)c1O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one?
The InChIKey is IYAAKKKGZIHIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(4-9)8-7(11)6(10)2-3-12-8/h2-3,5,11H,4,9H2,1H3.
What are the key properties of 2-(1-aminopropan-2-yl)-3-hydroxypyran-4-one?
2-(1-aminopropan-2-yl)-3-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)-3-hydroxypyran-4-one is sourced from PubChem (CID 112712062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).