1,3-diazaspiro[4.7]dodecane-2,4-dione

C10H16N2O2 — CID 90678721

IUPAC1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1N[11C](=O)C2(CCCCCCC2)N1
InChIInChI=1S/C10H16N2O2/c13-8-10(12-9(14)11-8)6-4-2-1-3-5-7-10/h1-7H2,(H2,11,12,13,14)/i8-1
InChIKeyNMKBJKPVCZJVTI-COJKEBBMSA-N
MW195.25 g/mol
LogP1.31
Rot. Bonds

About 1,3-diazaspiro[4.7]dodecane-2,4-dione

1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 90678721) has the molecular formula C10H16N2O2 and a molecular weight of 195.25 g/mol. Its IUPAC name is 1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID90678721
Molecular FormulaC10H16N2O2
Molecular Weight195.25 g/mol
Exact Mass195.13
IUPAC Name1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1N[11C](=O)C2(CCCCCCC2)N1
InChIInChI=1S/C10H16N2O2/c13-8-10(12-9(14)11-8)6-4-2-1-3-5-7-10/h1-7H2,(H2,11,12,13,14)/i8-1
InChIKeyNMKBJKPVCZJVTI-COJKEBBMSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 90678721) is 1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C1N[11C](=O)C2(CCCCCCC2)N1.
What is the InChIKey of 1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is NMKBJKPVCZJVTI-COJKEBBMSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-8-10(12-9(14)11-8)6-4-2-1-3-5-7-10/h1-7H2,(H2,11,12,13,14)/i8-1.
What are the key properties of 1,3-diazaspiro[4.7]dodecane-2,4-dione?
1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 195.25 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 90678721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).