[(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium

C19H23N2O+ — CID 10527255

IUPAC[(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium
SMILESCOc1ccc(N2C(=[N+](C)C)[C@@H](C)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H23N2O/c1-14-18(15-8-6-5-7-9-15)21(19(14)20(2)3)16-10-12-17(22-4)13-11-16/h5-14,18H,1-4H3/q+1/t14-,18-/m0/s1
InChIKeyUVYVTUVDUDHBNO-KSSFIOAISA-N
MW295.41 g/mol
LogP3.56
Rot. Bonds3

About [(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium

[(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium (PubChem CID 10527255) has the molecular formula C19H23N2O+ and a molecular weight of 295.41 g/mol. Its IUPAC name is [(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium
PubChem CID10527255
Molecular FormulaC19H23N2O+
Molecular Weight295.41 g/mol
Exact Mass295.18
IUPAC Name[(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium
SMILESCOc1ccc(N2C(=[N+](C)C)[C@@H](C)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H23N2O/c1-14-18(15-8-6-5-7-9-15)21(19(14)20(2)3)16-10-12-17(22-4)13-11-16/h5-14,18H,1-4H3/q+1/t14-,18-/m0/s1
InChIKeyUVYVTUVDUDHBNO-KSSFIOAISA-N
XLogP3.56
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4R)-3-chloro-1-(4-methoxyphenyl)-4-phenylazetidin-2-ylidene]-dimethylazanium;trifluoromethanesulfonate
CID 10600232
[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(4-nitrophenyl)azetidin-2-ylidene]-dimethylazanium;trifluoromethanesulfonate
CID 10767348
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
CID 10574666
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(2R,6S,7S,9R,13S,14S)-4,11-bis(4-methoxyphenyl)-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124719118
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium?
The IUPAC name of [(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium (CID 10527255) is [(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium.
What is the SMILES notation for [(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium?
The canonical SMILES for [(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium is COc1ccc(N2C(=[N+](C)C)[C@@H](C)[C@H]2c2ccccc2)cc1.
What is the InChIKey of [(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium?
The InChIKey is UVYVTUVDUDHBNO-KSSFIOAISA-N. The full InChI is InChI=1S/C19H23N2O/c1-14-18(15-8-6-5-7-9-15)21(19(14)20(2)3)16-10-12-17(22-4)13-11-16/h5-14,18H,1-4H3/q+1/t14-,18-/m0/s1.
What are the key properties of [(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium?
[(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium has a molecular weight of 295.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium is sourced from PubChem (CID 10527255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).