[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate

C13H15NO3 — CID 101433203

IUPAC[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H]1CC=CC[C@H]1O
InChIInChI=1S/C13H15NO3/c15-11-8-4-5-9-12(11)17-13(16)14-10-6-2-1-3-7-10/h1-7,11-12,15H,8-9H2,(H,14,16)/t11-,12+/m1/s1
InChIKeyWLJUBNLOAVZPBJ-NEPJUHHUSA-N
MW233.27 g/mol
LogP2.31
Rot. Bonds2

About [(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate

[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate (PubChem CID 101433203) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
PubChem CID101433203
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H]1CC=CC[C@H]1O
InChIInChI=1S/C13H15NO3/c15-11-8-4-5-9-12(11)17-13(16)14-10-6-2-1-3-7-10/h1-7,11-12,15H,8-9H2,(H,14,16)/t11-,12+/m1/s1
InChIKeyWLJUBNLOAVZPBJ-NEPJUHHUSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate
CID 98073845
oxetan-3-yl N-phenylcarbamate
CID 54313632
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086
[(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
CID 23229913
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930
(3,5-dimethylcyclohexyl) N-phenylcarbamate
CID 58534443
[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
CID 141355381
[(3R,4R)-4-morpholin-4-ium-4-yl-1,1-dioxothiolan-3-yl] N-phenylcarbamate
CID 7291167
[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate
CID 14184691
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960

Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate?
The IUPAC name of [(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate (CID 101433203) is [(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate.
What is the SMILES notation for [(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate?
The canonical SMILES for [(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@H]1CC=CC[C@H]1O.
What is the InChIKey of [(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate?
The InChIKey is WLJUBNLOAVZPBJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H15NO3/c15-11-8-4-5-9-12(11)17-13(16)14-10-6-2-1-3-7-10/h1-7,11-12,15H,8-9H2,(H,14,16)/t11-,12+/m1/s1.
What are the key properties of [(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate?
[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate has a molecular weight of 233.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate is sourced from PubChem (CID 101433203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).