9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione

C16H27NO2 — CID 79321065

IUPAC9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCC1C(=O)NC(=O)CC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C16H27NO2/c1-5-12-14(19)17-13(18)10-16(12)8-6-11(7-9-16)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyYCXZUBDZEHTRHF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.28
Rot. Bonds1

About 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione

9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 79321065) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID79321065
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCC1C(=O)NC(=O)CC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C16H27NO2/c1-5-12-14(19)17-13(18)10-16(12)8-6-11(7-9-16)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyYCXZUBDZEHTRHF-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione with MolForge

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Related Compounds

5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79321157
3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione
CID 79321543
11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione
CID 79320480
7-tert-butyl-1-azaspiro[3.5]nonan-2-one
CID 64663866
3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione
CID 79317229
3-ethyl-4,4-dipropylpiperidine-2,6-dione
CID 79321261
8-tert-butyl-1-(iodomethyl)-2-oxaspiro[4.5]decan-3-one
CID 165450882
1-ethyl-8-propyl-2-azaspiro[4.5]decan-3-one
CID 66106559
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
2-methyl-6-propyl-2,8-diazaspiro[4.5]decane-7,9-dione
CID 79318050
10-propan-2-yl-5-propyl-3-azaspiro[5.5]undecane-2,4-dione
CID 107450691
4-methyl-3,4-dipropylpiperidine-2,6-dione
CID 79317576

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione (CID 79321065) is 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione is CCC1C(=O)NC(=O)CC12CCC(C(C)(C)C)CC2.
What is the InChIKey of 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is YCXZUBDZEHTRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-12-14(19)17-13(18)10-16(12)8-6-11(7-9-16)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione?
9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 265.40 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-5-ethyl-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 79321065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).