8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione

C12H18N2O2 — CID 116658471

IUPAC8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione
SMILESO=C1CC2(CCC2)CNC(=O)N1C1CCC1
InChIInChI=1S/C12H18N2O2/c15-10-7-12(5-2-6-12)8-13-11(16)14(10)9-3-1-4-9/h9H,1-8H2,(H,13,16)
InChIKeyNVSHSGODPHDBRB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.65
Rot. Bonds1

About 8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione

8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione (PubChem CID 116658471) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione.

Molecular Properties

Compound Name8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione
PubChem CID116658471
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione
SMILESO=C1CC2(CCC2)CNC(=O)N1C1CCC1
InChIInChI=1S/C12H18N2O2/c15-10-7-12(5-2-6-12)8-13-11(16)14(10)9-3-1-4-9/h9H,1-8H2,(H,13,16)
InChIKeyNVSHSGODPHDBRB-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione?
The IUPAC name of 8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione (CID 116658471) is 8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione.
What is the SMILES notation for 8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione?
The canonical SMILES for 8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione is O=C1CC2(CCC2)CNC(=O)N1C1CCC1.
What is the InChIKey of 8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione?
The InChIKey is NVSHSGODPHDBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-10-7-12(5-2-6-12)8-13-11(16)14(10)9-3-1-4-9/h9H,1-8H2,(H,13,16).
What are the key properties of 8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione?
8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione has a molecular weight of 222.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione is sourced from PubChem (CID 116658471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).