methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate

C12H21NO2 — CID 86090310

IUPACmethyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate
SMILESCCN(CCC1C=CCCC1)C(=O)OC
InChIInChI=1S/C12H21NO2/c1-3-13(12(14)15-2)10-9-11-7-5-4-6-8-11/h5,7,11H,3-4,6,8-10H2,1-2H3
InChIKeyFNIOMALYRIDGBK-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.82
Rot. Bonds4

About methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate

methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate (PubChem CID 86090310) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate
PubChem CID86090310
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate
SMILESCCN(CCC1C=CCCC1)C(=O)OC
InChIInChI=1S/C12H21NO2/c1-3-13(12(14)15-2)10-9-11-7-5-4-6-8-11/h5,7,11H,3-4,6,8-10H2,1-2H3
InChIKeyFNIOMALYRIDGBK-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate 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 N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate?
The IUPAC name of methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate (CID 86090310) is methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate.
What is the SMILES notation for methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate?
The canonical SMILES for methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate is CCN(CCC1C=CCCC1)C(=O)OC.
What is the InChIKey of methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate?
The InChIKey is FNIOMALYRIDGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-13(12(14)15-2)10-9-11-7-5-4-6-8-11/h5,7,11H,3-4,6,8-10H2,1-2H3.
What are the key properties of methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate?
methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate has a molecular weight of 211.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-cyclohex-2-en-1-ylethyl)-N-ethylcarbamate is sourced from PubChem (CID 86090310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).