4-oxido-4-prop-2-enylmorpholin-4-ium

C7H13NO2 — CID 15536372

IUPAC4-oxido-4-prop-2-enylmorpholin-4-ium
SMILESC=CC[N+]1([O-])CCOCC1
InChIInChI=1S/C7H13NO2/c1-2-3-8(9)4-6-10-7-5-8/h2H,1,3-7H2
InChIKeyBLLADKFBDFHNMC-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.52
Rot. Bonds2

About 4-oxido-4-prop-2-enylmorpholin-4-ium

4-oxido-4-prop-2-enylmorpholin-4-ium (PubChem CID 15536372) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-oxido-4-prop-2-enylmorpholin-4-ium.

Molecular Properties

Compound Name4-oxido-4-prop-2-enylmorpholin-4-ium
PubChem CID15536372
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-oxido-4-prop-2-enylmorpholin-4-ium
SMILESC=CC[N+]1([O-])CCOCC1
InChIInChI=1S/C7H13NO2/c1-2-3-8(9)4-6-10-7-5-8/h2H,1,3-7H2
InChIKeyBLLADKFBDFHNMC-UHFFFAOYSA-N
XLogP0.52
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-oxido-4-prop-2-enylmorpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxido-4-prop-2-enylmorpholin-4-ium?
The IUPAC name of 4-oxido-4-prop-2-enylmorpholin-4-ium (CID 15536372) is 4-oxido-4-prop-2-enylmorpholin-4-ium.
What is the SMILES notation for 4-oxido-4-prop-2-enylmorpholin-4-ium?
The canonical SMILES for 4-oxido-4-prop-2-enylmorpholin-4-ium is C=CC[N+]1([O-])CCOCC1.
What is the InChIKey of 4-oxido-4-prop-2-enylmorpholin-4-ium?
The InChIKey is BLLADKFBDFHNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-8(9)4-6-10-7-5-8/h2H,1,3-7H2.
What are the key properties of 4-oxido-4-prop-2-enylmorpholin-4-ium?
4-oxido-4-prop-2-enylmorpholin-4-ium has a molecular weight of 143.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxido-4-prop-2-enylmorpholin-4-ium is sourced from PubChem (CID 15536372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).