1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone

C11H19NO3 — CID 116587534

IUPAC1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone
SMILESNC1COCC1C(=O)CC1CCOCC1
InChIInChI=1S/C11H19NO3/c12-10-7-15-6-9(10)11(13)5-8-1-3-14-4-2-8/h8-10H,1-7,12H2
InChIKeyMTICMLJONLWMQU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.35
Rot. Bonds3

About 1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone

1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone (PubChem CID 116587534) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone
PubChem CID116587534
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone
SMILESNC1COCC1C(=O)CC1CCOCC1
InChIInChI=1S/C11H19NO3/c12-10-7-15-6-9(10)11(13)5-8-1-3-14-4-2-8/h8-10H,1-7,12H2
InChIKeyMTICMLJONLWMQU-UHFFFAOYSA-N
XLogP0.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone (CID 116587534) is 1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone is NC1COCC1C(=O)CC1CCOCC1.
What is the InChIKey of 1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is MTICMLJONLWMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c12-10-7-15-6-9(10)11(13)5-8-1-3-14-4-2-8/h8-10H,1-7,12H2.
What are the key properties of 1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone?
1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 213.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 116587534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).