potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane

C11H21KN2O — CID 164876170

IUPACpotassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane
SMILESCC.O=[C-]N1CCC2(CCNC2)CC1.[K+]
InChIInChI=1S/C9H15N2O.C2H6.K/c12-8-11-5-2-9(3-6-11)1-4-10-7-9;1-2;/h10H,1-7H2;1-2H3;/q-1;;+1
InChIKeyRVMKYQWQUKDKAE-UHFFFAOYSA-N
MW236.40 g/mol
LogP-1.84
Rot. Bonds1

About potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane

potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane (PubChem CID 164876170) has the molecular formula C11H21KN2O and a molecular weight of 236.40 g/mol. Its IUPAC name is potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane.

Molecular Properties

Compound Namepotassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane
PubChem CID164876170
Molecular FormulaC11H21KN2O
Molecular Weight236.40 g/mol
Exact Mass236.13
IUPAC Namepotassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane
SMILESCC.O=[C-]N1CCC2(CCNC2)CC1.[K+]
InChIInChI=1S/C9H15N2O.C2H6.K/c12-8-11-5-2-9(3-6-11)1-4-10-7-9;1-2;/h10H,1-7H2;1-2H3;/q-1;;+1
InChIKeyRVMKYQWQUKDKAE-UHFFFAOYSA-N
XLogP-1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 5-1.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane?
The IUPAC name of potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane (CID 164876170) is potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane.
What is the SMILES notation for potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane?
The canonical SMILES for potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane is CC.O=[C-]N1CCC2(CCNC2)CC1.[K+].
What is the InChIKey of potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane?
The InChIKey is RVMKYQWQUKDKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O.C2H6.K/c12-8-11-5-2-9(3-6-11)1-4-10-7-9;1-2;/h10H,1-7H2;1-2H3;/q-1;;+1.
What are the key properties of potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane?
potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane has a molecular weight of 236.40 g/mol, XLogP of -1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane is sourced from PubChem (CID 164876170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).