3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C17H22N2O2 — CID 134790412

IUPAC3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(CC2=NOC3(CCN(C4COC4)CC3)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-2-4-14(5-3-1)10-15-11-17(21-18-15)6-8-19(9-7-17)16-12-20-13-16/h1-5,16H,6-13H2
InChIKeyUDYAIMSBXFSGDO-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.24
Rot. Bonds3

About 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134790412) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134790412
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(CC2=NOC3(CCN(C4COC4)CC3)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-2-4-14(5-3-1)10-15-11-17(21-18-15)6-8-19(9-7-17)16-12-20-13-16/h1-5,16H,6-13H2
InChIKeyUDYAIMSBXFSGDO-UHFFFAOYSA-N
XLogP2.24
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene 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 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134790412) is 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is c1ccc(CC2=NOC3(CCN(C4COC4)CC3)C2)cc1.
What is the InChIKey of 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is UDYAIMSBXFSGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-4-14(5-3-1)10-15-11-17(21-18-15)6-8-19(9-7-17)16-12-20-13-16/h1-5,16H,6-13H2.
What are the key properties of 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 286.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134790412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).