4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium

C12H24N2O+2 — CID 7101401

IUPAC4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium
SMILESC[NH+]1CCC[C@@H]1/C=C/C[NH+]1CCOCC1
InChIInChI=1S/C12H22N2O/c1-13-6-2-4-12(13)5-3-7-14-8-10-15-11-9-14/h3,5,12H,2,4,6-11H2,1H3/p+2/b5-3+/t12-/m1/s1
InChIKeyIYLNSGXFNPATIF-OGOUPESXSA-P
MW212.34 g/mol
LogP-1.87
Rot. Bonds3

About 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium

4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium (PubChem CID 7101401) has the molecular formula C12H24N2O+2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium
PubChem CID7101401
Molecular FormulaC12H24N2O+2
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium
SMILESC[NH+]1CCC[C@@H]1/C=C/C[NH+]1CCOCC1
InChIInChI=1S/C12H22N2O/c1-13-6-2-4-12(13)5-3-7-14-8-10-15-11-9-14/h3,5,12H,2,4,6-11H2,1H3/p+2/b5-3+/t12-/m1/s1
InChIKeyIYLNSGXFNPATIF-OGOUPESXSA-P
XLogP-1.87
TPSA18.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium with MolForge

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Related Compounds

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CID 58111071
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(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-amine
CID 66858310
4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine
CID 70025394
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine
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(Z)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]hex-4-en-3-amine
CID 70892663
(1R)-4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-amine
CID 70974391
4-(2,6-Dimethylmorpholin-4-yl)cyclohex-2-en-1-amine
CID 71080599
4-Ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 91378889
4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine
CID 115016235
4-Morpholin-4-ylcyclohex-2-en-1-amine
CID 126490186
4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine
CID 142010313

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium?
The IUPAC name of 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium (CID 7101401) is 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium.
What is the SMILES notation for 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium?
The canonical SMILES for 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium is C[NH+]1CCC[C@@H]1/C=C/C[NH+]1CCOCC1.
What is the InChIKey of 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium?
The InChIKey is IYLNSGXFNPATIF-OGOUPESXSA-P. The full InChI is InChI=1S/C12H22N2O/c1-13-6-2-4-12(13)5-3-7-14-8-10-15-11-9-14/h3,5,12H,2,4,6-11H2,1H3/p+2/b5-3+/t12-/m1/s1.
What are the key properties of 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium?
4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium has a molecular weight of 212.34 g/mol, XLogP of -1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium is sourced from PubChem (CID 7101401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).