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

C13H19NO2 — CID 58895181

IUPACprop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESC=CCOC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C13H19NO2/c1-2-11-16-13(15)14-10-6-9-12-7-4-3-5-8-12/h2-4,6,9,12H,1,5,7-8,10-11H2,(H,14,15)/b9-6+
InChIKeyBAXZNHFYIPXLCA-RMKNXTFCSA-N
MW221.30 g/mol
LogP2.81
Rot. Bonds5

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

prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (PubChem CID 58895181) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
PubChem CID58895181
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameprop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESC=CCOC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C13H19NO2/c1-2-11-16-13(15)14-10-6-9-12-7-4-3-5-8-12/h2-4,6,9,12H,1,5,7-8,10-11H2,(H,14,15)/b9-6+
InChIKeyBAXZNHFYIPXLCA-RMKNXTFCSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 58895300
CID 58895300
CID 72456024
CID 72456024
CID 10921687
CID 10921687
CID 11116699
CID 11116699
CID 13588615
CID 13588615
CID 57485791
CID 57485791
CID 58895172
CID 58895172
CID 58895178
CID 58895178
CID 58895191
CID 58895191
CID 58895192
CID 58895192
CID 58895212
CID 58895212
CID 58895213
CID 58895213

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The IUPAC name of prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (CID 58895181) is prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is C=CCOC(=O)NC/C=C/C1CC=CCC1.
What is the InChIKey of prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The InChIKey is BAXZNHFYIPXLCA-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-11-16-13(15)14-10-6-9-12-7-4-3-5-8-12/h2-4,6,9,12H,1,5,7-8,10-11H2,(H,14,15)/b9-6+.
What are the key properties of prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate has a molecular weight of 221.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is sourced from PubChem (CID 58895181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).