4-butyl-4-prop-2-enylmorpholin-4-ium

C11H22NO+ — CID 68588234

IUPAC4-butyl-4-prop-2-enylmorpholin-4-ium
SMILESC=CC[N+]1(CCCC)CCOCC1
InChIInChI=1S/C11H22NO/c1-3-5-7-12(6-4-2)8-10-13-11-9-12/h4H,2-3,5-11H2,1H3/q+1
InChIKeySHVCAEWIXHBPOM-UHFFFAOYSA-N
MW184.30 g/mol
LogP1.82
Rot. Bonds5

About 4-butyl-4-prop-2-enylmorpholin-4-ium

4-butyl-4-prop-2-enylmorpholin-4-ium (PubChem CID 68588234) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is 4-butyl-4-prop-2-enylmorpholin-4-ium.

Molecular Properties

Compound Name4-butyl-4-prop-2-enylmorpholin-4-ium
PubChem CID68588234
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Name4-butyl-4-prop-2-enylmorpholin-4-ium
SMILESC=CC[N+]1(CCCC)CCOCC1
InChIInChI=1S/C11H22NO/c1-3-5-7-12(6-4-2)8-10-13-11-9-12/h4H,2-3,5-11H2,1H3/q+1
InChIKeySHVCAEWIXHBPOM-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 51.82
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-butyl-4-prop-2-enylmorpholin-4-ium?
The IUPAC name of 4-butyl-4-prop-2-enylmorpholin-4-ium (CID 68588234) is 4-butyl-4-prop-2-enylmorpholin-4-ium.
What is the SMILES notation for 4-butyl-4-prop-2-enylmorpholin-4-ium?
The canonical SMILES for 4-butyl-4-prop-2-enylmorpholin-4-ium is C=CC[N+]1(CCCC)CCOCC1.
What is the InChIKey of 4-butyl-4-prop-2-enylmorpholin-4-ium?
The InChIKey is SHVCAEWIXHBPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO/c1-3-5-7-12(6-4-2)8-10-13-11-9-12/h4H,2-3,5-11H2,1H3/q+1.
What are the key properties of 4-butyl-4-prop-2-enylmorpholin-4-ium?
4-butyl-4-prop-2-enylmorpholin-4-ium has a molecular weight of 184.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-prop-2-enylmorpholin-4-ium is sourced from PubChem (CID 68588234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).