(2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one

C19H25NO2 — CID 23649698

IUPAC(2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one
SMILESC=CCC[C@]1(CC=C)O[C@H](c2ccccc2)[C@H](C)N(C)C1=O
InChIInChI=1S/C19H25NO2/c1-5-7-14-19(13-6-2)18(21)20(4)15(3)17(22-19)16-11-9-8-10-12-16/h5-6,8-12,15,17H,1-2,7,13-14H2,3-4H3/t15-,17-,19-/m0/s1
InChIKeyATYZMJXWNNQNIS-IEZWGBDMSA-N
MW299.41 g/mol
LogP3.89
Rot. Bonds6

About (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one

(2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one (PubChem CID 23649698) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name(2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one
PubChem CID23649698
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one
SMILESC=CCC[C@]1(CC=C)O[C@H](c2ccccc2)[C@H](C)N(C)C1=O
InChIInChI=1S/C19H25NO2/c1-5-7-14-19(13-6-2)18(21)20(4)15(3)17(22-19)16-11-9-8-10-12-16/h5-6,8-12,15,17H,1-2,7,13-14H2,3-4H3/t15-,17-,19-/m0/s1
InChIKeyATYZMJXWNNQNIS-IEZWGBDMSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid
CID 135041778
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine
CID 139263960
2,2,3,4-tetramethyl-5-phenyl-1,3-oxazolidine
CID 68632441
N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
CID 101112759
(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
CID 11367280
(4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10730915
(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine
CID 15531693
(2R,3R)-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 22216391
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
(2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one
CID 23250645
(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one
CID 118622892

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one?
The IUPAC name of (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one (CID 23649698) is (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one is C=CCC[C@]1(CC=C)O[C@H](c2ccccc2)[C@H](C)N(C)C1=O.
What is the InChIKey of (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one?
The InChIKey is ATYZMJXWNNQNIS-IEZWGBDMSA-N. The full InChI is InChI=1S/C19H25NO2/c1-5-7-14-19(13-6-2)18(21)20(4)15(3)17(22-19)16-11-9-8-10-12-16/h5-6,8-12,15,17H,1-2,7,13-14H2,3-4H3/t15-,17-,19-/m0/s1.
What are the key properties of (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one?
(2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one has a molecular weight of 299.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 23649698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).