7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione

C13H21NO2 — CID 107429486

IUPAC7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCC(C)CC1CCCC2(CC(=O)NC2=O)C1
InChIInChI=1S/C13H21NO2/c1-9(2)6-10-4-3-5-13(7-10)8-11(15)14-12(13)16/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyCDCXCJPEEHXPIH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.26
Rot. Bonds2

About 7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione

7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 107429486) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID107429486
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCC(C)CC1CCCC2(CC(=O)NC2=O)C1
InChIInChI=1S/C13H21NO2/c1-9(2)6-10-4-3-5-13(7-10)8-11(15)14-12(13)16/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyCDCXCJPEEHXPIH-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione (CID 107429486) is 7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione is CC(C)CC1CCCC2(CC(=O)NC2=O)C1.
What is the InChIKey of 7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is CDCXCJPEEHXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)6-10-4-3-5-13(7-10)8-11(15)14-12(13)16/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione?
7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 223.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 107429486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).