8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one

C11H17NO2 — CID 130118730

IUPAC8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one
SMILESO=C1NCC2(CC2)CC12CCOCC2
InChIInChI=1S/C11H17NO2/c13-9-11(3-5-14-6-4-11)7-10(1-2-10)8-12-9/h1-8H2,(H,12,13)
InChIKeyCBDGAESEQJQWMT-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.08
Rot. Bonds

About 8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one

8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one (PubChem CID 130118730) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one.

Molecular Properties

Compound Name8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one
PubChem CID130118730
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one
SMILESO=C1NCC2(CC2)CC12CCOCC2
InChIInChI=1S/C11H17NO2/c13-9-11(3-5-14-6-4-11)7-10(1-2-10)8-12-9/h1-8H2,(H,12,13)
InChIKeyCBDGAESEQJQWMT-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one?
The IUPAC name of 8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one (CID 130118730) is 8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one.
What is the SMILES notation for 8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one?
The canonical SMILES for 8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one is O=C1NCC2(CC2)CC12CCOCC2.
What is the InChIKey of 8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one?
The InChIKey is CBDGAESEQJQWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-9-11(3-5-14-6-4-11)7-10(1-2-10)8-12-9/h1-8H2,(H,12,13).
What are the key properties of 8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one?
8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one has a molecular weight of 195.26 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one is sourced from PubChem (CID 130118730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).