methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate

C13H21NO3 — CID 71861821

IUPACmethyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate
SMILESCOC(=O)CC1CN(C2C=CCCC2)CCO1
InChIInChI=1S/C13H21NO3/c1-16-13(15)9-12-10-14(7-8-17-12)11-5-3-2-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3
InChIKeyWOKDJWIFJQSRFL-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.36
Rot. Bonds3

About methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate

methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate (PubChem CID 71861821) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate
PubChem CID71861821
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate
SMILESCOC(=O)CC1CN(C2C=CCCC2)CCO1
InChIInChI=1S/C13H21NO3/c1-16-13(15)9-12-10-14(7-8-17-12)11-5-3-2-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3
InChIKeyWOKDJWIFJQSRFL-UHFFFAOYSA-N
XLogP1.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(4-cyclohex-2-en-1-ylmorpholin-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate?
The IUPAC name of methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate (CID 71861821) is methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate is COC(=O)CC1CN(C2C=CCCC2)CCO1.
What is the InChIKey of methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate?
The InChIKey is WOKDJWIFJQSRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-16-13(15)9-12-10-14(7-8-17-12)11-5-3-2-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3.
What are the key properties of methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate?
methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate has a molecular weight of 239.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetate is sourced from PubChem (CID 71861821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).