(2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium

C15H22NO+ — CID 7302647

IUPAC(2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium
SMILESC[C@H]1C[NH+](C/C=C/c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C15H21NO/c1-13-11-16(12-14(2)17-13)10-6-9-15-7-4-3-5-8-15/h3-9,13-14H,10-12H2,1-2H3/p+1/b9-6+/t13-,14-/m0/s1
InChIKeyMJSOKZQNFQUZPA-HXUSNMGPSA-O
MW232.35 g/mol
LogP1.39
Rot. Bonds3

About (2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium

(2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium (PubChem CID 7302647) has the molecular formula C15H22NO+ and a molecular weight of 232.35 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium
PubChem CID7302647
Molecular FormulaC15H22NO+
Molecular Weight232.35 g/mol
Exact Mass232.17
IUPAC Name(2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium
SMILESC[C@H]1C[NH+](C/C=C/c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C15H21NO/c1-13-11-16(12-14(2)17-13)10-6-9-15-7-4-3-5-8-15/h3-9,13-14H,10-12H2,1-2H3/p+1/b9-6+/t13-,14-/m0/s1
InChIKeyMJSOKZQNFQUZPA-HXUSNMGPSA-O
XLogP1.39
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium
CID 7380571
N-methyl-N-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8544773
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
CID 7411249
benzene;but-1-enylbenzene
CID 157481332
3-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]-3H-2-benzofuran-1-one
CID 4607852
(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
CID 7413622
2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
CID 76942803
1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
CID 6938282
2-methyl-4-(3-phenylprop-2-enyl)morpholine
CID 165349535
2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione
CID 6922378
(E)-3-phenyl-N-[(1S)-2,2,2-trichloro-1-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]prop-2-enamide
CID 7031946

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium (CID 7302647) is (2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium is C[C@H]1C[NH+](C/C=C/c2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium?
The InChIKey is MJSOKZQNFQUZPA-HXUSNMGPSA-O. The full InChI is InChI=1S/C15H21NO/c1-13-11-16(12-14(2)17-13)10-6-9-15-7-4-3-5-8-15/h3-9,13-14H,10-12H2,1-2H3/p+1/b9-6+/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium?
(2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium has a molecular weight of 232.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium is sourced from PubChem (CID 7302647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).