4-prop-2-enyl-4-propylmorpholin-4-ium

C10H20NO+ — CID 68590104

IUPAC4-prop-2-enyl-4-propylmorpholin-4-ium
SMILESC=CC[N+]1(CCC)CCOCC1
InChIInChI=1S/C10H20NO/c1-3-5-11(6-4-2)7-9-12-10-8-11/h3H,1,4-10H2,2H3/q+1
InChIKeyMPWGPSYFUIUOFD-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.43
Rot. Bonds4

About 4-prop-2-enyl-4-propylmorpholin-4-ium

4-prop-2-enyl-4-propylmorpholin-4-ium (PubChem CID 68590104) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-prop-2-enyl-4-propylmorpholin-4-ium.

Molecular Properties

Compound Name4-prop-2-enyl-4-propylmorpholin-4-ium
PubChem CID68590104
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name4-prop-2-enyl-4-propylmorpholin-4-ium
SMILESC=CC[N+]1(CCC)CCOCC1
InChIInChI=1S/C10H20NO/c1-3-5-11(6-4-2)7-9-12-10-8-11/h3H,1,4-10H2,2H3/q+1
InChIKeyMPWGPSYFUIUOFD-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-4-propylmorpholin-4-ium?
The IUPAC name of 4-prop-2-enyl-4-propylmorpholin-4-ium (CID 68590104) is 4-prop-2-enyl-4-propylmorpholin-4-ium.
What is the SMILES notation for 4-prop-2-enyl-4-propylmorpholin-4-ium?
The canonical SMILES for 4-prop-2-enyl-4-propylmorpholin-4-ium is C=CC[N+]1(CCC)CCOCC1.
What is the InChIKey of 4-prop-2-enyl-4-propylmorpholin-4-ium?
The InChIKey is MPWGPSYFUIUOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO/c1-3-5-11(6-4-2)7-9-12-10-8-11/h3H,1,4-10H2,2H3/q+1.
What are the key properties of 4-prop-2-enyl-4-propylmorpholin-4-ium?
4-prop-2-enyl-4-propylmorpholin-4-ium has a molecular weight of 170.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-4-propylmorpholin-4-ium is sourced from PubChem (CID 68590104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).