3-amino-6-propan-2-ylpyran-2-one

C8H11NO2 — CID 46739882

IUPAC3-amino-6-propan-2-ylpyran-2-one
SMILESCC(C)c1ccc(N)c(=O)o1
InChIInChI=1S/C8H11NO2/c1-5(2)7-4-3-6(9)8(10)11-7/h3-5H,9H2,1-2H3
InChIKeyXWVYZHBJKCCLJM-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.35
Rot. Bonds1

About 3-amino-6-propan-2-ylpyran-2-one

3-amino-6-propan-2-ylpyran-2-one (PubChem CID 46739882) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-amino-6-propan-2-ylpyran-2-one.

Molecular Properties

Compound Name3-amino-6-propan-2-ylpyran-2-one
PubChem CID46739882
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-amino-6-propan-2-ylpyran-2-one
SMILESCC(C)c1ccc(N)c(=O)o1
InChIInChI=1S/C8H11NO2/c1-5(2)7-4-3-6(9)8(10)11-7/h3-5H,9H2,1-2H3
InChIKeyXWVYZHBJKCCLJM-UHFFFAOYSA-N
XLogP1.35
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-propan-2-ylpyran-2-one?
The IUPAC name of 3-amino-6-propan-2-ylpyran-2-one (CID 46739882) is 3-amino-6-propan-2-ylpyran-2-one.
What is the SMILES notation for 3-amino-6-propan-2-ylpyran-2-one?
The canonical SMILES for 3-amino-6-propan-2-ylpyran-2-one is CC(C)c1ccc(N)c(=O)o1.
What is the InChIKey of 3-amino-6-propan-2-ylpyran-2-one?
The InChIKey is XWVYZHBJKCCLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(2)7-4-3-6(9)8(10)11-7/h3-5H,9H2,1-2H3.
What are the key properties of 3-amino-6-propan-2-ylpyran-2-one?
3-amino-6-propan-2-ylpyran-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-propan-2-ylpyran-2-one is sourced from PubChem (CID 46739882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).