(2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one

C17H23NO3 — CID 15500412

IUPAC(2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
SMILESC=C(C)C[C@H](OCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C17H23NO3/c1-14(2)12-16(17(19)18-8-10-20-11-9-18)21-13-15-6-4-3-5-7-15/h3-7,16H,1,8-13H2,2H3/t16-/m0/s1
InChIKeyOYTCDSGMAQJNCD-INIZCTEOSA-N
MW289.37 g/mol
LogP2.40
Rot. Bonds6

About (2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one

(2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one (PubChem CID 15500412) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one.

Molecular Properties

Compound Name(2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
PubChem CID15500412
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
SMILESC=C(C)C[C@H](OCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C17H23NO3/c1-14(2)12-16(17(19)18-8-10-20-11-9-18)21-13-15-6-4-3-5-7-15/h3-7,16H,1,8-13H2,2H3/t16-/m0/s1
InChIKeyOYTCDSGMAQJNCD-INIZCTEOSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-6-phenyl-3-morpholinone
CID 21789
2-Phenyl-4-propyl-tetrahydro-1,4-oxazine
CID 6430941
Piperidine, 1-(beta-ethoxyphenethyl)-
CID 99794
(4-Hydroxy-4-phenyl-piperidin-1-yl)-(tetrahydro-furan-2-yl)-methanone
CID 644736
4-Methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162674852
4-Ethyl-2-phenylmorpholine
CID 233190
Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate
CID 3760481
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 4-methylbenzoate
CID 4383633
Benzyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
CID 9817974
4-Cyclohexyl-6-phenylmorpholine-2,3-dione
CID 216183
1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
tert-Butyl 4-(benzyloxy)piperidine-1-carboxylate
CID 11694980

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one?
The IUPAC name of (2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one (CID 15500412) is (2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one.
What is the SMILES notation for (2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one?
The canonical SMILES for (2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one is C=C(C)C[C@H](OCc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one?
The InChIKey is OYTCDSGMAQJNCD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23NO3/c1-14(2)12-16(17(19)18-8-10-20-11-9-18)21-13-15-6-4-3-5-7-15/h3-7,16H,1,8-13H2,2H3/t16-/m0/s1.
What are the key properties of (2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one?
(2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one has a molecular weight of 289.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one is sourced from PubChem (CID 15500412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).