1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one

C14H16N2O2 — CID 134791343

IUPAC1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one
SMILESO=C1NC2(Cc3ccccc31)CN(C1COC1)C2
InChIInChI=1S/C14H16N2O2/c17-13-12-4-2-1-3-10(12)5-14(15-13)8-16(9-14)11-6-18-7-11/h1-4,11H,5-9H2,(H,15,17)
InChIKeyBUIKJMZXTZDSPX-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.43
Rot. Bonds1

About 1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one

1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one (PubChem CID 134791343) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one.

Molecular Properties

Compound Name1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one
PubChem CID134791343
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one
SMILESO=C1NC2(Cc3ccccc31)CN(C1COC1)C2
InChIInChI=1S/C14H16N2O2/c17-13-12-4-2-1-3-10(12)5-14(15-13)8-16(9-14)11-6-18-7-11/h1-4,11H,5-9H2,(H,15,17)
InChIKeyBUIKJMZXTZDSPX-UHFFFAOYSA-N
XLogP0.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one?
The IUPAC name of 1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one (CID 134791343) is 1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one.
What is the SMILES notation for 1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one?
The canonical SMILES for 1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one is O=C1NC2(Cc3ccccc31)CN(C1COC1)C2.
What is the InChIKey of 1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one?
The InChIKey is BUIKJMZXTZDSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13-12-4-2-1-3-10(12)5-14(15-13)8-16(9-14)11-6-18-7-11/h1-4,11H,5-9H2,(H,15,17).
What are the key properties of 1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one?
1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one has a molecular weight of 244.29 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxetan-3-yl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one is sourced from PubChem (CID 134791343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).