(3-aminooxolan-3-yl)-(oxan-3-yl)methanone

C10H17NO3 — CID 107138396

IUPAC(3-aminooxolan-3-yl)-(oxan-3-yl)methanone
SMILESNC1(C(=O)C2CCCOC2)CCOC1
InChIInChI=1S/C10H17NO3/c11-10(3-5-14-7-10)9(12)8-2-1-4-13-6-8/h8H,1-7,11H2
InChIKeyUGEGJVCCFVSYIL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.10
Rot. Bonds2

About (3-aminooxolan-3-yl)-(oxan-3-yl)methanone

(3-aminooxolan-3-yl)-(oxan-3-yl)methanone (PubChem CID 107138396) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3-aminooxolan-3-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(3-aminooxolan-3-yl)-(oxan-3-yl)methanone
PubChem CID107138396
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(3-aminooxolan-3-yl)-(oxan-3-yl)methanone
SMILESNC1(C(=O)C2CCCOC2)CCOC1
InChIInChI=1S/C10H17NO3/c11-10(3-5-14-7-10)9(12)8-2-1-4-13-6-8/h8H,1-7,11H2
InChIKeyUGEGJVCCFVSYIL-UHFFFAOYSA-N
XLogP0.10
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminooxolan-3-yl)-(oxan-3-yl)methanone?
The IUPAC name of (3-aminooxolan-3-yl)-(oxan-3-yl)methanone (CID 107138396) is (3-aminooxolan-3-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (3-aminooxolan-3-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (3-aminooxolan-3-yl)-(oxan-3-yl)methanone is NC1(C(=O)C2CCCOC2)CCOC1.
What is the InChIKey of (3-aminooxolan-3-yl)-(oxan-3-yl)methanone?
The InChIKey is UGEGJVCCFVSYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c11-10(3-5-14-7-10)9(12)8-2-1-4-13-6-8/h8H,1-7,11H2.
What are the key properties of (3-aminooxolan-3-yl)-(oxan-3-yl)methanone?
(3-aminooxolan-3-yl)-(oxan-3-yl)methanone has a molecular weight of 199.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxolan-3-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 107138396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).