1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone

C16H21NO2 — CID 110203869

IUPAC1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C16H21NO2/c18-15(14-6-2-1-3-7-14)17-11-9-16(10-12-17)8-4-5-13-19-16/h1-3,6-7H,4-5,8-13H2
InChIKeyLSJIRNQUOHXCIF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds1

About 1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone

1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone (PubChem CID 110203869) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone.

Molecular Properties

Compound Name1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone
PubChem CID110203869
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C16H21NO2/c18-15(14-6-2-1-3-7-14)17-11-9-16(10-12-17)8-4-5-13-19-16/h1-3,6-7H,4-5,8-13H2
InChIKeyLSJIRNQUOHXCIF-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone?
The IUPAC name of 1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone (CID 110203869) is 1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone.
What is the SMILES notation for 1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone?
The canonical SMILES for 1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone is O=C(c1ccccc1)N1CCC2(CCCCO2)CC1.
What is the InChIKey of 1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone?
The InChIKey is LSJIRNQUOHXCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(14-6-2-1-3-7-14)17-11-9-16(10-12-17)8-4-5-13-19-16/h1-3,6-7H,4-5,8-13H2.
What are the key properties of 1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone?
1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-9-azaspiro[5.5]undecan-9-yl(phenyl)methanone is sourced from PubChem (CID 110203869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).