methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate

C16H21NO3 — CID 75361746

IUPACmethyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C/C=C/c2ccccc2)CCO1
InChIInChI=1S/C16H21NO3/c1-19-16(18)12-15-13-17(10-11-20-15)9-5-8-14-6-3-2-4-7-14/h2-8,15H,9-13H2,1H3/b8-5+
InChIKeyZLLGXUUIQLKQNW-VMPITWQZSA-N
MW275.35 g/mol
LogP1.96
Rot. Bonds5

About methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate

methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate (PubChem CID 75361746) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate
PubChem CID75361746
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C/C=C/c2ccccc2)CCO1
InChIInChI=1S/C16H21NO3/c1-19-16(18)12-15-13-17(10-11-20-15)9-5-8-14-6-3-2-4-7-14/h2-8,15H,9-13H2,1H3/b8-5+
InChIKeyZLLGXUUIQLKQNW-VMPITWQZSA-N
XLogP1.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(3-phenylprop-2-enyl)morpholine
CID 165349535
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate
CID 123254803
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 98172915
methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79812518
1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine
CID 115315662
(2S)-4-[(E)-3-phenylprop-2-enyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95348630
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate
CID 122154345

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate (CID 75361746) is methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate is COC(=O)CC1CN(C/C=C/c2ccccc2)CCO1.
What is the InChIKey of methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate?
The InChIKey is ZLLGXUUIQLKQNW-VMPITWQZSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-16(18)12-15-13-17(10-11-20-15)9-5-8-14-6-3-2-4-7-14/h2-8,15H,9-13H2,1H3/b8-5+.
What are the key properties of methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate?
methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate has a molecular weight of 275.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate is sourced from PubChem (CID 75361746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).