About 2,3,4,5-tetrahydro-1H-indene
2,3,4,5-tetrahydro-1H-indene (PubChem CID 12865862) has the molecular formula C9H12
and a molecular weight of 120.19 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-indene.
Molecular Properties
| Compound Name | 2,3,4,5-tetrahydro-1H-indene |
|---|
| PubChem CID | 12865862 |
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| Molecular Formula | C9H12 |
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| Molecular Weight | 120.19 g/mol |
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| Exact Mass | 120.09 |
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| IUPAC Name | 2,3,4,5-tetrahydro-1H-indene |
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| SMILES | C1=CC2=C(CC1)CCC2 |
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| InChI | InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1,4H,2-3,5-7H2 |
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| InChIKey | YOFXXMWUECCWCV-UHFFFAOYSA-N |
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| XLogP | 2.82 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 120.19 |
| LogP ≤ 5 | 2.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 2,3,4,5-tetrahydro-1H-indene?
The IUPAC name of 2,3,4,5-tetrahydro-1H-indene (CID 12865862) is 2,3,4,5-tetrahydro-1H-indene.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-indene?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-indene is C1=CC2=C(CC1)CCC2.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-indene?
The InChIKey is YOFXXMWUECCWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1,4H,2-3,5-7H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-indene?
2,3,4,5-tetrahydro-1H-indene has a molecular weight of 120.19 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 12865862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).