1,9-dioxa-4-azaspiro[5.5]undecan-3-one

C8H13NO3 — CID 86277210

IUPAC1,9-dioxa-4-azaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCOCC2)CN1
InChIInChI=1S/C8H13NO3/c10-7-5-12-8(6-9-7)1-3-11-4-2-8/h1-6H2,(H,9,10)
InChIKeyRAVCGXRMQNLJHE-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.32
Rot. Bonds

About 1,9-dioxa-4-azaspiro[5.5]undecan-3-one

1,9-dioxa-4-azaspiro[5.5]undecan-3-one (PubChem CID 86277210) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1,9-dioxa-4-azaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name1,9-dioxa-4-azaspiro[5.5]undecan-3-one
PubChem CID86277210
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1,9-dioxa-4-azaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCOCC2)CN1
InChIInChI=1S/C8H13NO3/c10-7-5-12-8(6-9-7)1-3-11-4-2-8/h1-6H2,(H,9,10)
InChIKeyRAVCGXRMQNLJHE-UHFFFAOYSA-N
XLogP-0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9-dioxa-4-azaspiro[5.5]undecan-3-one?
The IUPAC name of 1,9-dioxa-4-azaspiro[5.5]undecan-3-one (CID 86277210) is 1,9-dioxa-4-azaspiro[5.5]undecan-3-one.
What is the SMILES notation for 1,9-dioxa-4-azaspiro[5.5]undecan-3-one?
The canonical SMILES for 1,9-dioxa-4-azaspiro[5.5]undecan-3-one is O=C1COC2(CCOCC2)CN1.
What is the InChIKey of 1,9-dioxa-4-azaspiro[5.5]undecan-3-one?
The InChIKey is RAVCGXRMQNLJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7-5-12-8(6-9-7)1-3-11-4-2-8/h1-6H2,(H,9,10).
What are the key properties of 1,9-dioxa-4-azaspiro[5.5]undecan-3-one?
1,9-dioxa-4-azaspiro[5.5]undecan-3-one has a molecular weight of 171.20 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxa-4-azaspiro[5.5]undecan-3-one is sourced from PubChem (CID 86277210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).