1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one

C12H20N2O2 — CID 170412031

IUPAC1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one
SMILESCCC(=O)N1CC2(CCN(C3COC3)C2)C1
InChIInChI=1S/C12H20N2O2/c1-2-11(15)14-8-12(9-14)3-4-13(7-12)10-5-16-6-10/h10H,2-9H2,1H3
InChIKeyWMMSCDIFDKHMBJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.33
Rot. Bonds2

About 1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one

1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one (PubChem CID 170412031) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one
PubChem CID170412031
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one
SMILESCCC(=O)N1CC2(CCN(C3COC3)C2)C1
InChIInChI=1S/C12H20N2O2/c1-2-11(15)14-8-12(9-14)3-4-13(7-12)10-5-16-6-10/h10H,2-9H2,1H3
InChIKeyWMMSCDIFDKHMBJ-UHFFFAOYSA-N
XLogP0.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one?
The IUPAC name of 1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one (CID 170412031) is 1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one.
What is the SMILES notation for 1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one?
The canonical SMILES for 1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one is CCC(=O)N1CC2(CCN(C3COC3)C2)C1.
What is the InChIKey of 1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one?
The InChIKey is WMMSCDIFDKHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-11(15)14-8-12(9-14)3-4-13(7-12)10-5-16-6-10/h10H,2-9H2,1H3.
What are the key properties of 1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one?
1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one has a molecular weight of 224.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one is sourced from PubChem (CID 170412031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).