(Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium

C10H17N3O3 — CID 135521330

IUPAC(Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium
SMILES[O-]/N=[N+](\[O-])C1CCCCC1=[N+]1CCOCC1
InChIInChI=1S/C10H17N3O3/c14-11-13(15)10-4-2-1-3-9(10)12-5-7-16-8-6-12/h10H,1-8H2/b13-11-
InChIKeyQXEWUFPSBCUREC-QBFSEMIESA-N
MW227.26 g/mol
LogP0.87
Rot. Bonds1

About (Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium

(Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium (PubChem CID 135521330) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium.

Molecular Properties

Compound Name(Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium
PubChem CID135521330
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium
SMILES[O-]/N=[N+](\[O-])C1CCCCC1=[N+]1CCOCC1
InChIInChI=1S/C10H17N3O3/c14-11-13(15)10-4-2-1-3-9(10)12-5-7-16-8-6-12/h10H,1-8H2/b13-11-
InChIKeyQXEWUFPSBCUREC-QBFSEMIESA-N
XLogP0.87
TPSA73.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

calcium;(E)-cyclohexyl-oxido-oxidoiminoazanium;(Z)-cyclohexyl-oxido-oxidoiminoazanium
CID 137095478
1,4-dioxane;7-oxabicyclo[4.1.0]heptane
CID 174406152
3-methyl-3-morpholin-4-yl-1-oxido-4-phenyl-4,4a,5,6,7,8-hexahydro-2,1-benzoxazin-1-ium
CID 608934
N-(cyclopentylideneamino)oxan-3-amine
CID 131201591
(1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 10959677
4a-hydroxy-4-nitro-2,3,4,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrobenzo[12]annulen-1-one
CID 544211
1-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium
CID 134923802
N-cyclopentyloxan-4-amine
CID 28694035
7-oxabicyclo[4.1.0]heptane;oxirane
CID 131984165
1,4-dimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-1-ium
CID 89324180
(4E,4aR,4bS,8aS)-4-hydroxyimino-8a-morpholin-4-yl-9-oxido-1,2,3,4b,5,6,7,8-octahydrocarbazol-9-ium-4a-ol
CID 98551589
N-(4-nitrophenyl)oxan-4-amine
CID 43610359

Frequently Asked Questions

What is the IUPAC name of (Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium?
The IUPAC name of (Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium (CID 135521330) is (Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium.
What is the SMILES notation for (Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium?
The canonical SMILES for (Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium is [O-]/N=[N+](\[O-])C1CCCCC1=[N+]1CCOCC1.
What is the InChIKey of (Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium?
The InChIKey is QXEWUFPSBCUREC-QBFSEMIESA-N. The full InChI is InChI=1S/C10H17N3O3/c14-11-13(15)10-4-2-1-3-9(10)12-5-7-16-8-6-12/h10H,1-8H2/b13-11-.
What are the key properties of (Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium?
(Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium has a molecular weight of 227.26 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(2-morpholin-4-ium-4-ylidenecyclohexyl)-oxido-oxidoiminoazanium is sourced from PubChem (CID 135521330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).