(2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one

C18H25NO2 — CID 132555651

IUPAC(2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one
SMILESC/C(CC(C)C)=C1/O[C@H](c2ccccc2)[C@H](C)N(C)C1=O
InChIInChI=1S/C18H25NO2/c1-12(2)11-13(3)16-18(20)19(5)14(4)17(21-16)15-9-7-6-8-10-15/h6-10,12,14,17H,11H2,1-5H3/b16-13-/t14-,17-/m0/s1
InChIKeyKNARJYITGUAWHD-CBWMLKRNSA-N
MW287.40 g/mol
LogP3.92
Rot. Bonds3

About (2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one

(2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one (PubChem CID 132555651) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one.

Molecular Properties

Compound Name(2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one
PubChem CID132555651
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one
SMILESC/C(CC(C)C)=C1/O[C@H](c2ccccc2)[C@H](C)N(C)C1=O
InChIInChI=1S/C18H25NO2/c1-12(2)11-13(3)16-18(20)19(5)14(4)17(21-16)15-9-7-6-8-10-15/h6-10,12,14,17H,11H2,1-5H3/b16-13-/t14-,17-/m0/s1
InChIKeyKNARJYITGUAWHD-CBWMLKRNSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.92
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

(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(2R,3R)-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 22216391
(2S,3R)-6-[(4-methoxyphenyl)methylidene]-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 57318968
(4S,5R)-4-methyl-3-[(3R)-4-methyl-3-phenylpentanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 102352854
4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
CID 19370117
(4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one
CID 91025395
(4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11368522
(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
CID 167005616
(4R,5S)-4-methyl-3-[2-[4-(2-methylpropyl)phenyl]acetyl]-5-phenyl-1,3-oxazolidin-2-one
CID 11573880
(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one
CID 139264012
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11832333

Frequently Asked Questions

What is the IUPAC name of (2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one?
The IUPAC name of (2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one (CID 132555651) is (2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one.
What is the SMILES notation for (2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one?
The canonical SMILES for (2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one is C/C(CC(C)C)=C1/O[C@H](c2ccccc2)[C@H](C)N(C)C1=O.
What is the InChIKey of (2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one?
The InChIKey is KNARJYITGUAWHD-CBWMLKRNSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12(2)11-13(3)16-18(20)19(5)14(4)17(21-16)15-9-7-6-8-10-15/h6-10,12,14,17H,11H2,1-5H3/b16-13-/t14-,17-/m0/s1.
What are the key properties of (2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one?
(2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one has a molecular weight of 287.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S,6R)-4,5-dimethyl-2-(4-methylpentan-2-ylidene)-6-phenylmorpholin-3-one is sourced from PubChem (CID 132555651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).