[(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
CID 141355381
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
cyclohexene;cyclohex-2-en-1-yl benzoate
CID 158500035
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate
CID 14184691
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286
[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
CID 101433203
cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate
CID 14926823
CID 10891261
CID 10891261
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930
2-O-[(2Z)-cyclooct-2-en-1-yl] 1-O-methyl benzene-1,2-dicarboxylate
CID 101173390

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).