1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane

C11H22NO+ — CID 88503198

IUPAC1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane
SMILESC.C1CCC([N+]23CCOC2C3)CC1
InChIInChI=1S/C10H18NO.CH4/c1-2-4-9(5-3-1)11-6-7-12-10(11)8-11;/h9-10H,1-8H2;1H4/q+1;
InChIKeyONNJKUGHLYMMCE-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.14
Rot. Bonds1

About 1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane

1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane (PubChem CID 88503198) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane.

Molecular Properties

Compound Name1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane
PubChem CID88503198
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Name1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane
SMILESC.C1CCC([N+]23CCOC2C3)CC1
InChIInChI=1S/C10H18NO.CH4/c1-2-4-9(5-3-1)11-6-7-12-10(11)8-11;/h9-10H,1-8H2;1H4/q+1;
InChIKeyONNJKUGHLYMMCE-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane?
The IUPAC name of 1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane (CID 88503198) is 1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane.
What is the SMILES notation for 1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane?
The canonical SMILES for 1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane is C.C1CCC([N+]23CCOC2C3)CC1.
What is the InChIKey of 1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane?
The InChIKey is ONNJKUGHLYMMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO.CH4/c1-2-4-9(5-3-1)11-6-7-12-10(11)8-11;/h9-10H,1-8H2;1H4/q+1;.
What are the key properties of 1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane?
1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane has a molecular weight of 184.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane is sourced from PubChem (CID 88503198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).