potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H25KN2O2 — CID 167353265

IUPACpotassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCC2(CC1)CN(C1CC[CH-]CC1)C(=O)O2.[K+]
InChIInChI=1S/C15H25N2O2.K/c1-2-16-10-8-15(9-11-16)12-17(14(18)19-15)13-6-4-3-5-7-13;/h3,13H,2,4-12H2,1H3;/q-1;+1
InChIKeyFLZXILUQAFQGTD-UHFFFAOYSA-N
MW304.48 g/mol
LogP-0.56
Rot. Bonds2

About potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 167353265) has the molecular formula C15H25KN2O2 and a molecular weight of 304.48 g/mol. Its IUPAC name is potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Namepotassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID167353265
Molecular FormulaC15H25KN2O2
Molecular Weight304.48 g/mol
Exact Mass304.16
IUPAC Namepotassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCC2(CC1)CN(C1CC[CH-]CC1)C(=O)O2.[K+]
InChIInChI=1S/C15H25N2O2.K/c1-2-16-10-8-15(9-11-16)12-17(14(18)19-15)13-6-4-3-5-7-13;/h3,13H,2,4-12H2,1H3;/q-1;+1
InChIKeyFLZXILUQAFQGTD-UHFFFAOYSA-N
XLogP-0.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 167353265) is potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CCC2(CC1)CN(C1CC[CH-]CC1)C(=O)O2.[K+].
What is the InChIKey of potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FLZXILUQAFQGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2O2.K/c1-2-16-10-8-15(9-11-16)12-17(14(18)19-15)13-6-4-3-5-7-13;/h3,13H,2,4-12H2,1H3;/q-1;+1.
What are the key properties of potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 304.48 g/mol, XLogP of -0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 167353265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).