2,3-dihydro-1H-indol-4-ylmethanol

C9H11NO — CID 11389477

IUPAC2,3-dihydro-1H-indol-4-ylmethanol
SMILESOCc1cccc2c1CCN2
InChIInChI=1S/C9H11NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-3,10-11H,4-6H2
InChIKeyKIAXWXLKHCRJMK-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.15
Rot. Bonds1

About 2,3-dihydro-1H-indol-4-ylmethanol

2,3-dihydro-1H-indol-4-ylmethanol (PubChem CID 11389477) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-4-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-4-ylmethanol
PubChem CID11389477
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,3-dihydro-1H-indol-4-ylmethanol
SMILESOCc1cccc2c1CCN2
InChIInChI=1S/C9H11NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-3,10-11H,4-6H2
InChIKeyKIAXWXLKHCRJMK-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-4-ylmethanol?
The IUPAC name of 2,3-dihydro-1H-indol-4-ylmethanol (CID 11389477) is 2,3-dihydro-1H-indol-4-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1H-indol-4-ylmethanol?
The canonical SMILES for 2,3-dihydro-1H-indol-4-ylmethanol is OCc1cccc2c1CCN2.
What is the InChIKey of 2,3-dihydro-1H-indol-4-ylmethanol?
The InChIKey is KIAXWXLKHCRJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-3,10-11H,4-6H2.
What are the key properties of 2,3-dihydro-1H-indol-4-ylmethanol?
2,3-dihydro-1H-indol-4-ylmethanol has a molecular weight of 149.19 g/mol, XLogP of 1.15, 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-4-ylmethanol is sourced from PubChem (CID 11389477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).