4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium

C19H18NO+ — CID 11729581

IUPAC4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium
SMILESC(#Cc1ccccc1)C(c1ccccc1)=[N+]1CCOCC1
InChIInChI=1S/C19H18NO/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)20-13-15-21-16-14-20/h1-10H,13-16H2/q+1
InChIKeyJAISBROEPKLKKP-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.57
Rot. Bonds1

About 4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium

4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium (PubChem CID 11729581) has the molecular formula C19H18NO+ and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium.

Molecular Properties

Compound Name4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium
PubChem CID11729581
Molecular FormulaC19H18NO+
Molecular Weight276.36 g/mol
Exact Mass276.14
IUPAC Name4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium
SMILESC(#Cc1ccccc1)C(c1ccccc1)=[N+]1CCOCC1
InChIInChI=1S/C19H18NO/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)20-13-15-21-16-14-20/h1-10H,13-16H2/q+1
InChIKeyJAISBROEPKLKKP-UHFFFAOYSA-N
XLogP2.57
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenylbut-3-yn-2-ylidene)morpholin-4-ium
CID 11046689
2-phenylethynylbenzene;hydrofluoride
CID 158259923
palladium;bis(3-phenylprop-2-ynoic acid)
CID 139238294
N-[4-(hydroxymethyl)oxan-4-yl]-3-phenylprop-2-ynamide
CID 104630641
N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylprop-2-ynamide
CID 79488152
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
[(E)-3-morpholin-4-ium-4-ylidene-1,3-diphenylprop-1-enyl] trifluoromethanesulfonate
CID 10907954
[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene
CID 155935520
1-diphenylphosphinothioyl-3-morpholin-4-ium-4-ylidene-1,3-diphenylprop-1-ene-2-thiol
CID 5238925
1,6-diphenylhex-3-en-1,5-diyne-3,4-dithiol
CID 72543052
2-phenylethynylbenzene;dihydrochloride
CID 174927104
4-[(4-methylphenyl)-methylsulfanylmethylidene]morpholin-4-ium
CID 15581354

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium?
The IUPAC name of 4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium (CID 11729581) is 4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium.
What is the SMILES notation for 4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium?
The canonical SMILES for 4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium is C(#Cc1ccccc1)C(c1ccccc1)=[N+]1CCOCC1.
What is the InChIKey of 4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium?
The InChIKey is JAISBROEPKLKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18NO/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)20-13-15-21-16-14-20/h1-10H,13-16H2/q+1.
What are the key properties of 4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium?
4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium has a molecular weight of 276.36 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diphenylprop-2-ynylidene)morpholin-4-ium is sourced from PubChem (CID 11729581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).