1,4,9-triazaspiro[5.5]undecane-2,5-dione

C8H13N3O2 — CID 66741717

IUPAC1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CNC(=O)C2(CCNCC2)N1
InChIInChI=1S/C8H13N3O2/c12-6-5-10-7(13)8(11-6)1-3-9-4-2-8/h9H,1-5H2,(H,10,13)(H,11,12)
InChIKeyRGVFHAWCOKTVTN-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.65
Rot. Bonds

About 1,4,9-triazaspiro[5.5]undecane-2,5-dione

1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 66741717) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID66741717
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CNC(=O)C2(CCNCC2)N1
InChIInChI=1S/C8H13N3O2/c12-6-5-10-7(13)8(11-6)1-3-9-4-2-8/h9H,1-5H2,(H,10,13)(H,11,12)
InChIKeyRGVFHAWCOKTVTN-UHFFFAOYSA-N
XLogP-1.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 66741717) is 1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1,4,9-triazaspiro[5.5]undecane-2,5-dione is O=C1CNC(=O)C2(CCNCC2)N1.
What is the InChIKey of 1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is RGVFHAWCOKTVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-6-5-10-7(13)8(11-6)1-3-9-4-2-8/h9H,1-5H2,(H,10,13)(H,11,12).
What are the key properties of 1,4,9-triazaspiro[5.5]undecane-2,5-dione?
1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of -1.65, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 66741717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).