4-(trioxidanyl)morpholine

C4H9NO4 — CID 58031133

IUPAC4-(trioxidanyl)morpholine
SMILESOOON1CCOCC1
InChIInChI=1S/C4H9NO4/c6-9-8-5-1-3-7-4-2-5/h6H,1-4H2
InChIKeyDSEMQROVAJEFSO-UHFFFAOYSA-N
MW135.12 g/mol
LogP-0.35
Rot. Bonds2

About 4-(trioxidanyl)morpholine

4-(trioxidanyl)morpholine (PubChem CID 58031133) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is 4-(trioxidanyl)morpholine.

Molecular Properties

Compound Name4-(trioxidanyl)morpholine
PubChem CID58031133
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name4-(trioxidanyl)morpholine
SMILESOOON1CCOCC1
InChIInChI=1S/C4H9NO4/c6-9-8-5-1-3-7-4-2-5/h6H,1-4H2
InChIKeyDSEMQROVAJEFSO-UHFFFAOYSA-N
XLogP-0.35
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yloxymorpholine;dihydrochloride
CID 174483627
trimorpholin-4-yl borate
CID 57215155
morpholin-4-yl dihydrogen phosphate
CID 57078331
4-(1,1-difluoroethylsulfanylperoxy)morpholine
CID 88869793
morpholin-4-yl nitrite
CID 57324165
morpholin-4-ylphosphonous acid
CID 45122822
4-morpholin-4-ylperoxysulfanylbenzene-1,2-dithiol
CID 20686120
morpholin-4-yl N-morpholin-4-ylcarbamate
CID 57465870
2-morpholin-4-yl-1-(trioxidanyl)ethanol
CID 58893564
CID 177489628
CID 177489628
N-methoxy-1-morpholin-4-yloxyethenamine
CID 59857776
methoxy-morpholin-4-yl-propan-2-ylphosphane
CID 171807486

Frequently Asked Questions

What is the IUPAC name of 4-(trioxidanyl)morpholine?
The IUPAC name of 4-(trioxidanyl)morpholine (CID 58031133) is 4-(trioxidanyl)morpholine.
What is the SMILES notation for 4-(trioxidanyl)morpholine?
The canonical SMILES for 4-(trioxidanyl)morpholine is OOON1CCOCC1.
What is the InChIKey of 4-(trioxidanyl)morpholine?
The InChIKey is DSEMQROVAJEFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4/c6-9-8-5-1-3-7-4-2-5/h6H,1-4H2.
What are the key properties of 4-(trioxidanyl)morpholine?
4-(trioxidanyl)morpholine has a molecular weight of 135.12 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trioxidanyl)morpholine is sourced from PubChem (CID 58031133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).