5,6-dihydro-1H-indol-3-ylmethanol

C9H11NO — CID 70306483

IUPAC5,6-dihydro-1H-indol-3-ylmethanol
SMILESOCc1c[nH]c2c1=CCCC=2
InChIInChI=1S/C9H11NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h3-5,10-11H,1-2,6H2
InChIKeyYNWYHSYEIXGGCC-UHFFFAOYSA-N
MW149.19 g/mol
LogP-0.14
Rot. Bonds1

About 5,6-dihydro-1H-indol-3-ylmethanol

5,6-dihydro-1H-indol-3-ylmethanol (PubChem CID 70306483) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5,6-dihydro-1H-indol-3-ylmethanol.

Molecular Properties

Compound Name5,6-dihydro-1H-indol-3-ylmethanol
PubChem CID70306483
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5,6-dihydro-1H-indol-3-ylmethanol
SMILESOCc1c[nH]c2c1=CCCC=2
InChIInChI=1S/C9H11NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h3-5,10-11H,1-2,6H2
InChIKeyYNWYHSYEIXGGCC-UHFFFAOYSA-N
XLogP-0.14
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1H-indol-3-ylmethanol?
The IUPAC name of 5,6-dihydro-1H-indol-3-ylmethanol (CID 70306483) is 5,6-dihydro-1H-indol-3-ylmethanol.
What is the SMILES notation for 5,6-dihydro-1H-indol-3-ylmethanol?
The canonical SMILES for 5,6-dihydro-1H-indol-3-ylmethanol is OCc1c[nH]c2c1=CCCC=2.
What is the InChIKey of 5,6-dihydro-1H-indol-3-ylmethanol?
The InChIKey is YNWYHSYEIXGGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h3-5,10-11H,1-2,6H2.
What are the key properties of 5,6-dihydro-1H-indol-3-ylmethanol?
5,6-dihydro-1H-indol-3-ylmethanol has a molecular weight of 149.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-indol-3-ylmethanol is sourced from PubChem (CID 70306483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).