dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium

C21H25N2O+ — CID 134877282

IUPACdimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium
SMILESC[N+](C)=C/C(=C(/c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25N2O/c1-22(2)17-20(18-9-5-3-6-10-18)21(19-11-7-4-8-12-19)23-13-15-24-16-14-23/h3-12,17H,13-16H2,1-2H3/q+1
InChIKeyOVJQSDFOCPOCRJ-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.23
Rot. Bonds4

About dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium

dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium (PubChem CID 134877282) has the molecular formula C21H25N2O+ and a molecular weight of 321.44 g/mol. Its IUPAC name is dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium
PubChem CID134877282
Molecular FormulaC21H25N2O+
Molecular Weight321.44 g/mol
Exact Mass321.20
IUPAC Namedimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium
SMILESC[N+](C)=C/C(=C(/c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25N2O/c1-22(2)17-20(18-9-5-3-6-10-18)21(19-11-7-4-8-12-19)23-13-15-24-16-14-23/h3-12,17H,13-16H2,1-2H3/q+1
InChIKeyOVJQSDFOCPOCRJ-UHFFFAOYSA-N
XLogP3.23
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium?
The IUPAC name of dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium (CID 134877282) is dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium.
What is the SMILES notation for dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium?
The canonical SMILES for dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium is C[N+](C)=C/C(=C(/c1ccccc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium?
The InChIKey is OVJQSDFOCPOCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N2O/c1-22(2)17-20(18-9-5-3-6-10-18)21(19-11-7-4-8-12-19)23-13-15-24-16-14-23/h3-12,17H,13-16H2,1-2H3/q+1.
What are the key properties of dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium?
dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium has a molecular weight of 321.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium is sourced from PubChem (CID 134877282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).