10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione

C16H27NO2 — CID 107450691

IUPAC10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCC1C(=O)NC(=O)CC12CCCC(C(C)C)C2
InChIInChI=1S/C16H27NO2/c1-4-6-13-15(19)17-14(18)10-16(13)8-5-7-12(9-16)11(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyCWNBZNZJIDMASS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.28
Rot. Bonds3

About 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione

10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 107450691) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID107450691
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCC1C(=O)NC(=O)CC12CCCC(C(C)C)C2
InChIInChI=1S/C16H27NO2/c1-4-6-13-15(19)17-14(18)10-16(13)8-5-7-12(9-16)11(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyCWNBZNZJIDMASS-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione (CID 107450691) is 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione is CCCC1C(=O)NC(=O)CC12CCCC(C(C)C)C2.
What is the InChIKey of 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is CWNBZNZJIDMASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-6-13-15(19)17-14(18)10-16(13)8-5-7-12(9-16)11(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione?
10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 265.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 107450691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).