6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one

C11H18N2O2 — CID 83249029

IUPAC6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC2CCCOC2)CNC12CC2
InChIInChI=1S/C11H18N2O2/c14-10-11(3-4-11)12-8-13(10)6-9-2-1-5-15-7-9/h9,12H,1-8H2
InChIKeyJFZUGDNSVWSHBP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.33
Rot. Bonds2

About 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83249029) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83249029
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC2CCCOC2)CNC12CC2
InChIInChI=1S/C11H18N2O2/c14-10-11(3-4-11)12-8-13(10)6-9-2-1-5-15-7-9/h9,12H,1-8H2
InChIKeyJFZUGDNSVWSHBP-UHFFFAOYSA-N
XLogP0.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one 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 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83249029) is 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(CC2CCCOC2)CNC12CC2.
What is the InChIKey of 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is JFZUGDNSVWSHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-10-11(3-4-11)12-8-13(10)6-9-2-1-5-15-7-9/h9,12H,1-8H2.
What are the key properties of 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 210.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83249029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).