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

C16H20N2O2 — CID 134789872

IUPAC8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(C2=NOC3(CCN(C4COC4)CC3)C2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-4-13(5-3-1)15-10-16(20-17-15)6-8-18(9-7-16)14-11-19-12-14/h1-5,14H,6-12H2
InChIKeyMBPFAPRSFMHAQS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds2

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

8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134789872) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134789872
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(C2=NOC3(CCN(C4COC4)CC3)C2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-4-13(5-3-1)15-10-16(20-17-15)6-8-18(9-7-16)14-11-19-12-14/h1-5,14H,6-12H2
InChIKeyMBPFAPRSFMHAQS-UHFFFAOYSA-N
XLogP2.04
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(oxetan-3-yl)-3-phenyl-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 8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134789872) is 8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is c1ccc(C2=NOC3(CCN(C4COC4)CC3)C2)cc1.
What is the InChIKey of 8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is MBPFAPRSFMHAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-4-13(5-3-1)15-10-16(20-17-15)6-8-18(9-7-16)14-11-19-12-14/h1-5,14H,6-12H2.
What are the key properties of 8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 272.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxetan-3-yl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134789872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).