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

C15H23NO2 — CID 58895178

IUPACcyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESO=C(NC/C=C/C1CC=CCC1)OC1CCCC1
InChIInChI=1S/C15H23NO2/c17-15(18-14-10-4-5-11-14)16-12-6-9-13-7-2-1-3-8-13/h1-2,6,9,13-14H,3-5,7-8,10-12H2,(H,16,17)/b9-6+
InChIKeyXQTKOLSTCOYAQG-RMKNXTFCSA-N
MW249.35 g/mol
LogP3.57
Rot. Bonds4

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

cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (PubChem CID 58895178) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
PubChem CID58895178
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namecyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESO=C(NC/C=C/C1CC=CCC1)OC1CCCC1
InChIInChI=1S/C15H23NO2/c17-15(18-14-10-4-5-11-14)16-12-6-9-13-7-2-1-3-8-13/h1-2,6,9,13-14H,3-5,7-8,10-12H2,(H,16,17)/b9-6+
InChIKeyXQTKOLSTCOYAQG-RMKNXTFCSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.57
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

N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide
CID 59793407
cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 156899477
[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate
CID 138548914
[(3E)-cyclooct-3-en-1-yl] N-methylcarbamate
CID 153422557
4-[(E)-but-1-enyl]cyclohexene
CID 21245549
cyclopentyl N-ethylcarbamate
CID 54482890
[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(1S)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171318905
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 137334019
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 167312923
cyclohexyl N-ethylcarbamate
CID 22978796
4-[(E)-pent-1-enyl]cyclohexene
CID 127260693
4-pent-1-enylcyclohexene
CID 54361712

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The IUPAC name of cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (CID 58895178) is cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.
What is the SMILES notation for cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The canonical SMILES for cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is O=C(NC/C=C/C1CC=CCC1)OC1CCCC1.
What is the InChIKey of cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The InChIKey is XQTKOLSTCOYAQG-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H23NO2/c17-15(18-14-10-4-5-11-14)16-12-6-9-13-7-2-1-3-8-13/h1-2,6,9,13-14H,3-5,7-8,10-12H2,(H,16,17)/b9-6+.
What are the key properties of cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is sourced from PubChem (CID 58895178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).