(4-aminooxolan-3-yl)-cyclohexylmethanone

C11H19NO2 — CID 116587386

IUPAC(4-aminooxolan-3-yl)-cyclohexylmethanone
SMILESNC1COCC1C(=O)C1CCCCC1
InChIInChI=1S/C11H19NO2/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8/h8-10H,1-7,12H2
InChIKeyJSEWFQOSXMGRRN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.11
Rot. Bonds2

About (4-aminooxolan-3-yl)-cyclohexylmethanone

(4-aminooxolan-3-yl)-cyclohexylmethanone (PubChem CID 116587386) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-cyclohexylmethanone
PubChem CID116587386
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(4-aminooxolan-3-yl)-cyclohexylmethanone
SMILESNC1COCC1C(=O)C1CCCCC1
InChIInChI=1S/C11H19NO2/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8/h8-10H,1-7,12H2
InChIKeyJSEWFQOSXMGRRN-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-aminooxolan-3-yl)-cyclohexylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-cyclohexylmethanone?
The IUPAC name of (4-aminooxolan-3-yl)-cyclohexylmethanone (CID 116587386) is (4-aminooxolan-3-yl)-cyclohexylmethanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-cyclohexylmethanone?
The canonical SMILES for (4-aminooxolan-3-yl)-cyclohexylmethanone is NC1COCC1C(=O)C1CCCCC1.
What is the InChIKey of (4-aminooxolan-3-yl)-cyclohexylmethanone?
The InChIKey is JSEWFQOSXMGRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8/h8-10H,1-7,12H2.
What are the key properties of (4-aminooxolan-3-yl)-cyclohexylmethanone?
(4-aminooxolan-3-yl)-cyclohexylmethanone has a molecular weight of 197.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-cyclohexylmethanone is sourced from PubChem (CID 116587386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).