3-propyl-3-azaspiro[5.5]undecane-2,4-dione

C13H21NO2 — CID 19814205

IUPAC3-propyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C13H21NO2/c1-2-8-14-11(15)9-13(10-12(14)16)6-4-3-5-7-13/h2-10H2,1H3
InChIKeyCSWPEHDAXBBWDM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.50
Rot. Bonds2

About 3-propyl-3-azaspiro[5.5]undecane-2,4-dione

3-propyl-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 19814205) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-propyl-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-propyl-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID19814205
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-propyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C13H21NO2/c1-2-8-14-11(15)9-13(10-12(14)16)6-4-3-5-7-13/h2-10H2,1H3
InChIKeyCSWPEHDAXBBWDM-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
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 3-propyl-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-propyl-3-azaspiro[5.5]undecane-2,4-dione (CID 19814205) is 3-propyl-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-propyl-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-propyl-3-azaspiro[5.5]undecane-2,4-dione is CCCN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-propyl-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is CSWPEHDAXBBWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-8-14-11(15)9-13(10-12(14)16)6-4-3-5-7-13/h2-10H2,1H3.
What are the key properties of 3-propyl-3-azaspiro[5.5]undecane-2,4-dione?
3-propyl-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 223.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 19814205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).