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

C8H15NO3 — CID 152923029

IUPAC1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)CC1(N)CCOC1
InChIInChI=1S/C8H15NO3/c1-11-5-7(10)4-8(9)2-3-12-6-8/h2-6,9H2,1H3
InChIKeyUJLVZBNBRJFUDA-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.29
Rot. Bonds4

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

1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one (PubChem CID 152923029) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one
PubChem CID152923029
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)CC1(N)CCOC1
InChIInChI=1S/C8H15NO3/c1-11-5-7(10)4-8(9)2-3-12-6-8/h2-6,9H2,1H3
InChIKeyUJLVZBNBRJFUDA-UHFFFAOYSA-N
XLogP-0.29
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one?
The IUPAC name of 1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one (CID 152923029) is 1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one is COCC(=O)CC1(N)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one?
The InChIKey is UJLVZBNBRJFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-5-7(10)4-8(9)2-3-12-6-8/h2-6,9H2,1H3.
What are the key properties of 1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one?
1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one has a molecular weight of 173.21 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-3-methoxypropan-2-one is sourced from PubChem (CID 152923029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).