About methyl (5S)-5-phenylcyclopentene-1-carboxylate
methyl (5S)-5-phenylcyclopentene-1-carboxylate (PubChem CID 11401436) has the molecular formula C13H14O2
and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl (5S)-5-phenylcyclopentene-1-carboxylate.
Molecular Properties
| Compound Name | methyl (5S)-5-phenylcyclopentene-1-carboxylate |
|---|
| PubChem CID | 11401436 |
|---|
| Molecular Formula | C13H14O2 |
|---|
| Molecular Weight | 202.25 g/mol |
|---|
| Exact Mass | 202.10 |
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| IUPAC Name | methyl (5S)-5-phenylcyclopentene-1-carboxylate |
|---|
| SMILES | COC(=O)C1=CCC[C@H]1c1ccccc1 |
|---|
| InChI | InChI=1S/C13H14O2/c1-15-13(14)12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,9,11H,5,8H2,1H3/t11-/m0/s1 |
|---|
| InChIKey | BQFHKHRIGFPFNW-NSHDSACASA-N |
|---|
| XLogP | 2.66 |
|---|
| TPSA | 26.30 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 15 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.25 |
| LogP ≤ 5 | 2.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of methyl (5S)-5-phenylcyclopentene-1-carboxylate?
The IUPAC name of methyl (5S)-5-phenylcyclopentene-1-carboxylate (CID 11401436) is methyl (5S)-5-phenylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (5S)-5-phenylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (5S)-5-phenylcyclopentene-1-carboxylate is COC(=O)C1=CCC[C@H]1c1ccccc1.
What is the InChIKey of methyl (5S)-5-phenylcyclopentene-1-carboxylate?
The InChIKey is BQFHKHRIGFPFNW-NSHDSACASA-N. The full InChI is InChI=1S/C13H14O2/c1-15-13(14)12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,9,11H,5,8H2,1H3/t11-/m0/s1.
What are the key properties of methyl (5S)-5-phenylcyclopentene-1-carboxylate?
methyl (5S)-5-phenylcyclopentene-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-phenylcyclopentene-1-carboxylate is sourced from PubChem (CID 11401436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).