8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione

C12H18N2O3 — CID 81167346

IUPAC8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione
SMILESO=C1CC2(CCC2)CNC(=O)N1C1CCOC1
InChIInChI=1S/C12H18N2O3/c15-10-6-12(3-1-4-12)8-13-11(16)14(10)9-2-5-17-7-9/h9H,1-8H2,(H,13,16)
InChIKeyCKABTYCQRBOWCT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.89
Rot. Bonds1

About 8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione

8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione (PubChem CID 81167346) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione.

Molecular Properties

Compound Name8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione
PubChem CID81167346
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione
SMILESO=C1CC2(CCC2)CNC(=O)N1C1CCOC1
InChIInChI=1S/C12H18N2O3/c15-10-6-12(3-1-4-12)8-13-11(16)14(10)9-2-5-17-7-9/h9H,1-8H2,(H,13,16)
InChIKeyCKABTYCQRBOWCT-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione?
The IUPAC name of 8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione (CID 81167346) is 8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione.
What is the SMILES notation for 8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione?
The canonical SMILES for 8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione is O=C1CC2(CCC2)CNC(=O)N1C1CCOC1.
What is the InChIKey of 8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione?
The InChIKey is CKABTYCQRBOWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-10-6-12(3-1-4-12)8-13-11(16)14(10)9-2-5-17-7-9/h9H,1-8H2,(H,13,16).
What are the key properties of 8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione?
8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione has a molecular weight of 238.29 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione is sourced from PubChem (CID 81167346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).