[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate

C13H15NO2 — CID 101414086

IUPAC[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@@H]1C=CCCC1
InChIInChI=1S/C13H15NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2,(H,14,15)/t12-/m1/s1
InChIKeyFOCFOFFSLOVHDD-GFCCVEGCSA-N
MW217.27 g/mol
LogP3.34
Rot. Bonds2

About [(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate

[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate (PubChem CID 101414086) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is [(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
PubChem CID101414086
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@@H]1C=CCCC1
InChIInChI=1S/C13H15NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2,(H,14,15)/t12-/m1/s1
InChIKeyFOCFOFFSLOVHDD-GFCCVEGCSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate?
The IUPAC name of [(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate (CID 101414086) is [(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate.
What is the SMILES notation for [(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate?
The canonical SMILES for [(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@@H]1C=CCCC1.
What is the InChIKey of [(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate?
The InChIKey is FOCFOFFSLOVHDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2,(H,14,15)/t12-/m1/s1.
What are the key properties of [(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate?
[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate has a molecular weight of 217.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate is sourced from PubChem (CID 101414086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).