potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane

C9H14KNO — CID 170583620

IUPACpotassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESC1C[C-]1CN1CC2(COC2)C1.[K+]
InChIInChI=1S/C9H14NO.K/c1-2-8(1)3-10-4-9(5-10)6-11-7-9;/h1-7H2;/q-1;+1
InChIKeyHBNKPKNAPNOLMC-UHFFFAOYSA-N
MW191.31 g/mol
LogP-2.31
Rot. Bonds2

About potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane

potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 170583620) has the molecular formula C9H14KNO and a molecular weight of 191.31 g/mol. Its IUPAC name is potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Namepotassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID170583620
Molecular FormulaC9H14KNO
Molecular Weight191.31 g/mol
Exact Mass191.07
IUPAC Namepotassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESC1C[C-]1CN1CC2(COC2)C1.[K+]
InChIInChI=1S/C9H14NO.K/c1-2-8(1)3-10-4-9(5-10)6-11-7-9;/h1-7H2;/q-1;+1
InChIKeyHBNKPKNAPNOLMC-UHFFFAOYSA-N
XLogP-2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Butyl-2-oxa-6-azaspiro[3.3]heptane
CID 13778350
6-Propyl-2-oxa-6-azaspiro[3.3]heptane
CID 68346908
6-Butyl-2-oxa-6-azaspiro[3.3]heptane;ethane
CID 164877880
Potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate
CID 164878670
6-[(1-Methylcyclopropyl)methyl]-2-oxa-6-azaspiro[3.3]heptane
CID 170583535
Ethane;6-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane
CID 172348297
6-Butyl-2-oxa-6-azaspiro[3.3]heptane;methane
CID 176923726
6-(Cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane
CID 170583621
6-[[1-(Methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane
CID 172348298

Frequently Asked Questions

What is the IUPAC name of potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane (CID 170583620) is potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane is C1C[C-]1CN1CC2(COC2)C1.[K+].
What is the InChIKey of potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is HBNKPKNAPNOLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO.K/c1-2-8(1)3-10-4-9(5-10)6-11-7-9;/h1-7H2;/q-1;+1.
What are the key properties of potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane?
potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 191.31 g/mol, XLogP of -2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 170583620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).