[(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium

C11H20N2O2+2 — CID 7008701

IUPAC[(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium
SMILES[NH3+]C1=CCCC(=O)[C@@H]1C[NH+]1CCOCC1
InChIInChI=1S/C11H18N2O2/c12-10-2-1-3-11(14)9(10)8-13-4-6-15-7-5-13/h2,9H,1,3-8,12H2/p+2/t9-/m1/s1
InChIKeyNEXYPGISGPLICQ-SECBINFHSA-P
MW212.29 g/mol
LogP-1.99
Rot. Bonds2

About [(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium

[(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium (PubChem CID 7008701) has the molecular formula C11H20N2O2+2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium.

Molecular Properties

Compound Name[(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium
PubChem CID7008701
Molecular FormulaC11H20N2O2+2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium
SMILES[NH3+]C1=CCCC(=O)[C@@H]1C[NH+]1CCOCC1
InChIInChI=1S/C11H18N2O2/c12-10-2-1-3-11(14)9(10)8-13-4-6-15-7-5-13/h2,9H,1,3-8,12H2/p+2/t9-/m1/s1
InChIKeyNEXYPGISGPLICQ-SECBINFHSA-P
XLogP-1.99
TPSA58.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-3-{[3-(morpholin-4-yl)propyl]amino}cyclohex-2-en-1-one
CID 2837133
5-Amino-3-morpholin-4-ylcyclohex-2-en-1-one
CID 123811032
(4aS)-7,7-dimethyl-3-(3-morpholin-4-ylpropyl)-2,4,4a,6-tetrahydro-1H-quinazolin-5-one
CID 1943156
(2R)-3-amino-2-(morpholin-4-ylmethyl)cyclohex-3-en-1-one
CID 1969903
5,5-Dimethyl-3-(2-morpholin-4-ium-4-ylethylamino)cyclohex-3-en-1-one
CID 4742921
5,5-Dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-3-en-1-one
CID 4742922
5,5-Dimethyl-3-morpholin-4-ylcyclohex-3-en-1-one
CID 15467313

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium?
The IUPAC name of [(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium (CID 7008701) is [(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium.
What is the SMILES notation for [(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium?
The canonical SMILES for [(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium is [NH3+]C1=CCCC(=O)[C@@H]1C[NH+]1CCOCC1.
What is the InChIKey of [(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium?
The InChIKey is NEXYPGISGPLICQ-SECBINFHSA-P. The full InChI is InChI=1S/C11H18N2O2/c12-10-2-1-3-11(14)9(10)8-13-4-6-15-7-5-13/h2,9H,1,3-8,12H2/p+2/t9-/m1/s1.
What are the key properties of [(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium?
[(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium has a molecular weight of 212.29 g/mol, XLogP of -1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(morpholin-4-ium-4-ylmethyl)-5-oxocyclohexen-1-yl]azanium is sourced from PubChem (CID 7008701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).