1-(3-aminooxolan-3-yl)-2-methylbutan-1-one

C9H17NO2 — CID 116579484

IUPAC1-(3-aminooxolan-3-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1(N)CCOC1
InChIInChI=1S/C9H17NO2/c1-3-7(2)8(11)9(10)4-5-12-6-9/h7H,3-6,10H2,1-2H3
InChIKeyILYHTIATQLZNKD-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.72
Rot. Bonds3

About 1-(3-aminooxolan-3-yl)-2-methylbutan-1-one

1-(3-aminooxolan-3-yl)-2-methylbutan-1-one (PubChem CID 116579484) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-2-methylbutan-1-one
PubChem CID116579484
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(3-aminooxolan-3-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1(N)CCOC1
InChIInChI=1S/C9H17NO2/c1-3-7(2)8(11)9(10)4-5-12-6-9/h7H,3-6,10H2,1-2H3
InChIKeyILYHTIATQLZNKD-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-2-methylbutan-1-one?
The IUPAC name of 1-(3-aminooxolan-3-yl)-2-methylbutan-1-one (CID 116579484) is 1-(3-aminooxolan-3-yl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-2-methylbutan-1-one?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-2-methylbutan-1-one is CCC(C)C(=O)C1(N)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-2-methylbutan-1-one?
The InChIKey is ILYHTIATQLZNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-7(2)8(11)9(10)4-5-12-6-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-(3-aminooxolan-3-yl)-2-methylbutan-1-one?
1-(3-aminooxolan-3-yl)-2-methylbutan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-2-methylbutan-1-one is sourced from PubChem (CID 116579484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).