2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate

C13H21NO3 — CID 58895191

IUPAC2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESCOCCOC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C13H21NO3/c1-16-10-11-17-13(15)14-9-5-8-12-6-3-2-4-7-12/h2-3,5,8,12H,4,6-7,9-11H2,1H3,(H,14,15)/b8-5+
InChIKeyXLZFEJUTIIBROK-VMPITWQZSA-N
MW239.31 g/mol
LogP2.27
Rot. Bonds6

About 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate

2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (PubChem CID 58895191) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
PubChem CID58895191
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESCOCCOC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C13H21NO3/c1-16-10-11-17-13(15)14-9-5-8-12-6-3-2-4-7-12/h2-3,5,8,12H,4,6-7,9-11H2,1H3,(H,14,15)/b8-5+
InChIKeyXLZFEJUTIIBROK-VMPITWQZSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate 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 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (CID 58895191) is 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is COCCOC(=O)NC/C=C/C1CC=CCC1.
What is the InChIKey of 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The InChIKey is XLZFEJUTIIBROK-VMPITWQZSA-N. The full InChI is InChI=1S/C13H21NO3/c1-16-10-11-17-13(15)14-9-5-8-12-6-3-2-4-7-12/h2-3,5,8,12H,4,6-7,9-11H2,1H3,(H,14,15)/b8-5+.
What are the key properties of 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate has a molecular weight of 239.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is sourced from PubChem (CID 58895191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).