3-methyl-5,6-dihydro-1H-indole-5,6-diol

C9H11NO2 — CID 130281203

IUPAC3-methyl-5,6-dihydro-1H-indole-5,6-diol
SMILESCc1c[nH]c2c1=CC(O)C(O)C=2
InChIInChI=1S/C9H11NO2/c1-5-4-10-7-3-9(12)8(11)2-6(5)7/h2-4,8-12H,1H3
InChIKeyGAKKUPLWPQYTRK-UHFFFAOYSA-N
MW165.19 g/mol
LogP-1.38
Rot. Bonds

About 3-methyl-5,6-dihydro-1H-indole-5,6-diol

3-methyl-5,6-dihydro-1H-indole-5,6-diol (PubChem CID 130281203) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-1H-indole-5,6-diol.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-1H-indole-5,6-diol
PubChem CID130281203
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-methyl-5,6-dihydro-1H-indole-5,6-diol
SMILESCc1c[nH]c2c1=CC(O)C(O)C=2
InChIInChI=1S/C9H11NO2/c1-5-4-10-7-3-9(12)8(11)2-6(5)7/h2-4,8-12H,1H3
InChIKeyGAKKUPLWPQYTRK-UHFFFAOYSA-N
XLogP-1.38
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-1H-indole-5,6-diol?
The IUPAC name of 3-methyl-5,6-dihydro-1H-indole-5,6-diol (CID 130281203) is 3-methyl-5,6-dihydro-1H-indole-5,6-diol.
What is the SMILES notation for 3-methyl-5,6-dihydro-1H-indole-5,6-diol?
The canonical SMILES for 3-methyl-5,6-dihydro-1H-indole-5,6-diol is Cc1c[nH]c2c1=CC(O)C(O)C=2.
What is the InChIKey of 3-methyl-5,6-dihydro-1H-indole-5,6-diol?
The InChIKey is GAKKUPLWPQYTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-4-10-7-3-9(12)8(11)2-6(5)7/h2-4,8-12H,1H3.
What are the key properties of 3-methyl-5,6-dihydro-1H-indole-5,6-diol?
3-methyl-5,6-dihydro-1H-indole-5,6-diol has a molecular weight of 165.19 g/mol, XLogP of -1.38, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-1H-indole-5,6-diol is sourced from PubChem (CID 130281203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).