1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone

C10H13NO3 — CID 116579682

IUPAC1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone
SMILESNC1(C(=O)Cc2ccoc2)CCOC1
InChIInChI=1S/C10H13NO3/c11-10(2-4-14-7-10)9(12)5-8-1-3-13-6-8/h1,3,6H,2,4-5,7,11H2
InChIKeyHIWYVLJDLXEBSG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.51
Rot. Bonds3

About 1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone

1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone (PubChem CID 116579682) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone
PubChem CID116579682
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone
SMILESNC1(C(=O)Cc2ccoc2)CCOC1
InChIInChI=1S/C10H13NO3/c11-10(2-4-14-7-10)9(12)5-8-1-3-13-6-8/h1,3,6H,2,4-5,7,11H2
InChIKeyHIWYVLJDLXEBSG-UHFFFAOYSA-N
XLogP0.51
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.51
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)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone (CID 116579682) is 1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone is NC1(C(=O)Cc2ccoc2)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone?
The InChIKey is HIWYVLJDLXEBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-10(2-4-14-7-10)9(12)5-8-1-3-13-6-8/h1,3,6H,2,4-5,7,11H2.
What are the key properties of 1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone?
1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone has a molecular weight of 195.22 g/mol, XLogP of 0.51, 3 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)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 116579682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).