About (1R,4S)-5-methylbicyclo[2.1.0]pentane
(1R,4S)-5-methylbicyclo[2.1.0]pentane (PubChem CID 101249204) has the molecular formula C6H10
and a molecular weight of 82.15 g/mol. Its IUPAC name is (1R,4S)-5-methylbicyclo[2.1.0]pentane.
Molecular Properties
| Compound Name | (1R,4S)-5-methylbicyclo[2.1.0]pentane |
|---|
| PubChem CID | 101249204 |
|---|
| Molecular Formula | C6H10 |
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| Molecular Weight | 82.15 g/mol |
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| Exact Mass | 82.08 |
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| IUPAC Name | (1R,4S)-5-methylbicyclo[2.1.0]pentane |
|---|
| SMILES | CC1[C@H]2CC[C@@H]12 |
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| InChI | InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4?,5-,6+ |
|---|
| InChIKey | PEDLOCJHSNBDBB-GOHHTPAQSA-N |
|---|
| XLogP | 1.66 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 6 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 82.15 |
| LogP ≤ 5 | 1.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of (1R,4S)-5-methylbicyclo[2.1.0]pentane?
The IUPAC name of (1R,4S)-5-methylbicyclo[2.1.0]pentane (CID 101249204) is (1R,4S)-5-methylbicyclo[2.1.0]pentane.
What is the SMILES notation for (1R,4S)-5-methylbicyclo[2.1.0]pentane?
The canonical SMILES for (1R,4S)-5-methylbicyclo[2.1.0]pentane is CC1[C@H]2CC[C@@H]12.
What is the InChIKey of (1R,4S)-5-methylbicyclo[2.1.0]pentane?
The InChIKey is PEDLOCJHSNBDBB-GOHHTPAQSA-N. The full InChI is InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4?,5-,6+.
What are the key properties of (1R,4S)-5-methylbicyclo[2.1.0]pentane?
(1R,4S)-5-methylbicyclo[2.1.0]pentane has a molecular weight of 82.15 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-5-methylbicyclo[2.1.0]pentane is sourced from PubChem (CID 101249204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).