[(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate

C14H15NO3 — CID 23229913

IUPAC[(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H]1[C@H]2C[C@@H]3[C@@H]([C@H]2O)[C@@H]31
InChIInChI=1S/C14H15NO3/c16-12-9-6-8-10(12)11(8)13(9)18-14(17)15-7-4-2-1-3-5-7/h1-5,8-13,16H,6H2,(H,15,17)/t8-,9+,10-,11-,12+,13+/m1/s1
InChIKeyTZXMWOWOUBGAID-ISFYIQIJSA-N
MW245.28 g/mol
LogP1.86
Rot. Bonds2

About [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate

[(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate (PubChem CID 23229913) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
PubChem CID23229913
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name[(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H]1[C@H]2C[C@@H]3[C@@H]([C@H]2O)[C@@H]31
InChIInChI=1S/C14H15NO3/c16-12-9-6-8-10(12)11(8)13(9)18-14(17)15-7-4-2-1-3-5-7/h1-5,8-13,16H,6H2,(H,15,17)/t8-,9+,10-,11-,12+,13+/m1/s1
InChIKeyTZXMWOWOUBGAID-ISFYIQIJSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate with MolForge

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Related Compounds

[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate
CID 98073845
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[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
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[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
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(3,5-dimethylcyclohexyl) N-phenylcarbamate
CID 58534443
oxetan-3-yl N-phenylcarbamate
CID 54313632
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate
CID 14184691
[(1S,2R,3R,4S,5R)-4-acetamido-2-hydroxy-3-methylsulfanyl-5-(phenylcarbamoyloxy)cyclopentyl] acetate
CID 10523959
[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086
[(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate
CID 99720110

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate?
The IUPAC name of [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate (CID 23229913) is [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate.
What is the SMILES notation for [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate?
The canonical SMILES for [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@H]1[C@H]2C[C@@H]3[C@@H]([C@H]2O)[C@@H]31.
What is the InChIKey of [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate?
The InChIKey is TZXMWOWOUBGAID-ISFYIQIJSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12-9-6-8-10(12)11(8)13(9)18-14(17)15-7-4-2-1-3-5-7/h1-5,8-13,16H,6H2,(H,15,17)/t8-,9+,10-,11-,12+,13+/m1/s1.
What are the key properties of [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate?
[(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate has a molecular weight of 245.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate is sourced from PubChem (CID 23229913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).