8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione

C13H20BrNO2 — CID 11208851

IUPAC8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCBr
InChIInChI=1S/C13H20BrNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2
InChIKeyQQCVFKSWYYHXMA-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.87
Rot. Bonds4

About 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione

8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11208851) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11208851
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCBr
InChIInChI=1S/C13H20BrNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2
InChIKeyQQCVFKSWYYHXMA-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(Prop-2-yn-1-yl)-8-azaspiro[4.5]decane-7,9-dione
CID 15698252
1-(4-Bromobutyl)-4,4-dimethylpiperidine-2,6-dione
CID 13660335
2-Oxo-8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 15068019
8-Propyl-8-azaspiro[4.5]decane-7,9-dione
CID 4349275
8-Butyl-8-azaspiro[4.5]decane-7,9-dione
CID 21803305
Glutarimide, 3-butyl-N,3-dimethyl-
CID 24838455
Glutarimide, 3-butyl-N-ethyl-3-methyl-
CID 24838456
8-Cyclohexyl-8-azaspiro[4.5]decane-7,9-dione
CID 3272686
8-Cyclopropyl-8-azaspiro[4.5]decane-7,9-dione
CID 3498851
8-[2-(Dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 3659328
1-(2-Bromo-3,3-dimethylbutyl)-4,4-dimethylpiperidine-2,6-dione
CID 15647143
8-Methyl-8-azaspiro[4.5]decane-7,9-dione
CID 4572201

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione (CID 11208851) is 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCCBr.
What is the InChIKey of 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is QQCVFKSWYYHXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2.
What are the key properties of 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 302.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11208851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).