About 2,3-dihydro-1H-indol-2-ylmethanol
2,3-dihydro-1H-indol-2-ylmethanol (PubChem CID 2794664) has the molecular formula C9H11NO
and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-ylmethanol.
Molecular Properties
| Compound Name | 2,3-dihydro-1H-indol-2-ylmethanol |
| PubChem CID | 2794664 |
| Molecular Formula | C9H11NO |
| Molecular Weight | 149.19 g/mol |
| Exact Mass | 149.08 |
| IUPAC Name | 2,3-dihydro-1H-indol-2-ylmethanol |
| SMILES | OCC1Cc2ccccc2N1 |
| InChI | InChI=1S/C9H11NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,8,10-11H,5-6H2 |
| InChIKey | GRPOFAKYHPAXNP-UHFFFAOYSA-N |
| XLogP | 1.02 |
| TPSA | 32.26 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 149.19 |
| LogP ≤ 5 | 1.02 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,3-dihydro-1H-indol-2-ylmethanol?
The IUPAC name of 2,3-dihydro-1H-indol-2-ylmethanol (CID 2794664) is 2,3-dihydro-1H-indol-2-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-ylmethanol?
The canonical SMILES for 2,3-dihydro-1H-indol-2-ylmethanol is OCC1Cc2ccccc2N1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-ylmethanol?
The InChIKey is GRPOFAKYHPAXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,8,10-11H,5-6H2.
What are the key properties of 2,3-dihydro-1H-indol-2-ylmethanol?
2,3-dihydro-1H-indol-2-ylmethanol has a molecular weight of 149.19 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-ylmethanol is sourced from PubChem (CID 2794664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).