(Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one

C16H21NO2 — CID 7429607

IUPAC(Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one
SMILESC/C(=C/c1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H21NO2/c1-12(9-15-7-5-4-6-8-15)16(18)17-10-13(2)19-14(3)11-17/h4-9,13-14H,10-11H2,1-3H3/b12-9-/t13-,14-/m1/s1
InChIKeyAENUGOFXOJIYDD-ISESHHHUSA-N
MW259.35 g/mol
LogP2.73
Rot. Bonds2

About (Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one

(Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one (PubChem CID 7429607) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one
PubChem CID7429607
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one
SMILESC/C(=C/c1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H21NO2/c1-12(9-15-7-5-4-6-8-15)16(18)17-10-13(2)19-14(3)11-17/h4-9,13-14H,10-11H2,1-3H3/b12-9-/t13-,14-/m1/s1
InChIKeyAENUGOFXOJIYDD-ISESHHHUSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one
CID 2939984
(E)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-phenylprop-2-en-1-one
CID 99643485
N-[(Z)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6560976
methyl 1-(2-methyl-3-phenylprop-2-enoyl)piperidine-4-carboxylate
CID 889257
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2790304
1-(4-benzylpiperazin-1-yl)-2-methyl-3-phenylprop-2-en-1-one
CID 667699
(Z)-3-anilino-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
CID 108830737
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
CID 95358432
phenyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 95358431

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one (CID 7429607) is (Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one is C/C(=C/c1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one?
The InChIKey is AENUGOFXOJIYDD-ISESHHHUSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(9-15-7-5-4-6-8-15)16(18)17-10-13(2)19-14(3)11-17/h4-9,13-14H,10-11H2,1-3H3/b12-9-/t13-,14-/m1/s1.
What are the key properties of (Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one?
(Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one has a molecular weight of 259.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one is sourced from PubChem (CID 7429607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).