1,5-dioxa-9-azaspiro[5.5]undecan-11-one

C8H13NO3 — CID 54164859

IUPAC1,5-dioxa-9-azaspiro[5.5]undecan-11-one
SMILESO=C1CNCCC12OCCCO2
InChIInChI=1S/C8H13NO3/c10-7-6-9-3-2-8(7)11-4-1-5-12-8/h9H,1-6H2
InChIKeyOQXTUNZUYUSUNM-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.32
Rot. Bonds

About 1,5-dioxa-9-azaspiro[5.5]undecan-11-one

1,5-dioxa-9-azaspiro[5.5]undecan-11-one (PubChem CID 54164859) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1,5-dioxa-9-azaspiro[5.5]undecan-11-one.

Molecular Properties

Compound Name1,5-dioxa-9-azaspiro[5.5]undecan-11-one
PubChem CID54164859
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1,5-dioxa-9-azaspiro[5.5]undecan-11-one
SMILESO=C1CNCCC12OCCCO2
InChIInChI=1S/C8H13NO3/c10-7-6-9-3-2-8(7)11-4-1-5-12-8/h9H,1-6H2
InChIKeyOQXTUNZUYUSUNM-UHFFFAOYSA-N
XLogP-0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-11-one?
The IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-11-one (CID 54164859) is 1,5-dioxa-9-azaspiro[5.5]undecan-11-one.
What is the SMILES notation for 1,5-dioxa-9-azaspiro[5.5]undecan-11-one?
The canonical SMILES for 1,5-dioxa-9-azaspiro[5.5]undecan-11-one is O=C1CNCCC12OCCCO2.
What is the InChIKey of 1,5-dioxa-9-azaspiro[5.5]undecan-11-one?
The InChIKey is OQXTUNZUYUSUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7-6-9-3-2-8(7)11-4-1-5-12-8/h9H,1-6H2.
What are the key properties of 1,5-dioxa-9-azaspiro[5.5]undecan-11-one?
1,5-dioxa-9-azaspiro[5.5]undecan-11-one has a molecular weight of 171.20 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxa-9-azaspiro[5.5]undecan-11-one is sourced from PubChem (CID 54164859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).