2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione

C12H20N2O2 — CID 79318050

IUPAC2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione
SMILESCCCC1C(=O)NC(=O)CC12CCN(C)C2
InChIInChI=1S/C12H20N2O2/c1-3-4-9-11(16)13-10(15)7-12(9)5-6-14(2)8-12/h9H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyFSZRNNGYJXTLEH-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.77
Rot. Bonds2

About 2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione

2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione (PubChem CID 79318050) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione
PubChem CID79318050
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione
SMILESCCCC1C(=O)NC(=O)CC12CCN(C)C2
InChIInChI=1S/C12H20N2O2/c1-3-4-9-11(16)13-10(15)7-12(9)5-6-14(2)8-12/h9H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyFSZRNNGYJXTLEH-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione?
The IUPAC name of 2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione (CID 79318050) is 2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione is CCCC1C(=O)NC(=O)CC12CCN(C)C2.
What is the InChIKey of 2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione?
The InChIKey is FSZRNNGYJXTLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-4-9-11(16)13-10(15)7-12(9)5-6-14(2)8-12/h9H,3-8H2,1-2H3,(H,13,15,16).
What are the key properties of 2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione?
2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione has a molecular weight of 224.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 79318050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).