2,3-dihydro-1H-indol-6-ylmethanol

C9H11NO — CID 20666213

IUPAC2,3-dihydro-1H-indol-6-ylmethanol
SMILESOCc1ccc2c(c1)NCC2
InChIInChI=1S/C9H11NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-2,5,10-11H,3-4,6H2
InChIKeyASGMIPKABNEUSU-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.15
Rot. Bonds1

About 2,3-dihydro-1H-indol-6-ylmethanol

2,3-dihydro-1H-indol-6-ylmethanol (PubChem CID 20666213) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-6-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-6-ylmethanol
PubChem CID20666213
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,3-dihydro-1H-indol-6-ylmethanol
SMILESOCc1ccc2c(c1)NCC2
InChIInChI=1S/C9H11NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-2,5,10-11H,3-4,6H2
InChIKeyASGMIPKABNEUSU-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-6-ylmethanol?
The IUPAC name of 2,3-dihydro-1H-indol-6-ylmethanol (CID 20666213) is 2,3-dihydro-1H-indol-6-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1H-indol-6-ylmethanol?
The canonical SMILES for 2,3-dihydro-1H-indol-6-ylmethanol is OCc1ccc2c(c1)NCC2.
What is the InChIKey of 2,3-dihydro-1H-indol-6-ylmethanol?
The InChIKey is ASGMIPKABNEUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-2,5,10-11H,3-4,6H2.
What are the key properties of 2,3-dihydro-1H-indol-6-ylmethanol?
2,3-dihydro-1H-indol-6-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-6-ylmethanol is sourced from PubChem (CID 20666213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).