1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone

C17H23NO2 — CID 110203870

IUPAC1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C17H23NO2/c19-16(14-15-6-2-1-3-7-15)18-11-9-17(10-12-18)8-4-5-13-20-17/h1-3,6-7H,4-5,8-14H2
InChIKeySHCSHHUTBXHZSA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.79
Rot. Bonds2

About 1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone

1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone (PubChem CID 110203870) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone
PubChem CID110203870
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C17H23NO2/c19-16(14-15-6-2-1-3-7-15)18-11-9-17(10-12-18)8-4-5-13-20-17/h1-3,6-7H,4-5,8-14H2
InChIKeySHCSHHUTBXHZSA-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone?
The IUPAC name of 1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone (CID 110203870) is 1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone?
The canonical SMILES for 1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCC2(CCCCO2)CC1.
What is the InChIKey of 1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone?
The InChIKey is SHCSHHUTBXHZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16(14-15-6-2-1-3-7-15)18-11-9-17(10-12-18)8-4-5-13-20-17/h1-3,6-7H,4-5,8-14H2.
What are the key properties of 1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone?
1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone has a molecular weight of 273.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-phenylethanone is sourced from PubChem (CID 110203870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).