8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one

C8H14N2O3 — CID 89003952

IUPAC8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one
SMILESO=C1NCCNC12COCCOC2
InChIInChI=1S/C8H14N2O3/c11-7-8(10-2-1-9-7)5-12-3-4-13-6-8/h10H,1-6H2,(H,9,11)
InChIKeyVIPXLOWRHVFOBM-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.51
Rot. Bonds

About 8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one

8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one (PubChem CID 89003952) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one.

Molecular Properties

Compound Name8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one
PubChem CID89003952
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one
SMILESO=C1NCCNC12COCCOC2
InChIInChI=1S/C8H14N2O3/c11-7-8(10-2-1-9-7)5-12-3-4-13-6-8/h10H,1-6H2,(H,9,11)
InChIKeyVIPXLOWRHVFOBM-UHFFFAOYSA-N
XLogP-1.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one?
The IUPAC name of 8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one (CID 89003952) is 8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one.
What is the SMILES notation for 8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one?
The canonical SMILES for 8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one is O=C1NCCNC12COCCOC2.
What is the InChIKey of 8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one?
The InChIKey is VIPXLOWRHVFOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c11-7-8(10-2-1-9-7)5-12-3-4-13-6-8/h10H,1-6H2,(H,9,11).
What are the key properties of 8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one?
8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one has a molecular weight of 186.21 g/mol, XLogP of -1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one is sourced from PubChem (CID 89003952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).