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

C10H19NO2 — CID 116579711

IUPAC1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)C1(N)CCOC1
InChIInChI=1S/C10H19NO2/c1-3-8(4-2)9(12)10(11)5-6-13-7-10/h8H,3-7,11H2,1-2H3
InChIKeyWPZKBSSQHNWQNZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.11
Rot. Bonds4

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

1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one (PubChem CID 116579711) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one
PubChem CID116579711
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)C1(N)CCOC1
InChIInChI=1S/C10H19NO2/c1-3-8(4-2)9(12)10(11)5-6-13-7-10/h8H,3-7,11H2,1-2H3
InChIKeyWPZKBSSQHNWQNZ-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.11
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-ethylbutan-1-one?
The IUPAC name of 1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one (CID 116579711) is 1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one is CCC(CC)C(=O)C1(N)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one?
The InChIKey is WPZKBSSQHNWQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8(4-2)9(12)10(11)5-6-13-7-10/h8H,3-7,11H2,1-2H3.
What are the key properties of 1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one?
1-(3-aminooxolan-3-yl)-2-ethylbutan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.11, 4 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-ethylbutan-1-one is sourced from PubChem (CID 116579711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).