3-amino-2,3-dihydroindene-1,1-diol

C9H11NO2 — CID 70048051

IUPAC3-amino-2,3-dihydroindene-1,1-diol
SMILESNC1CC(O)(O)c2ccccc21
InChIInChI=1S/C9H11NO2/c10-8-5-9(11,12)7-4-2-1-3-6(7)8/h1-4,8,11-12H,5,10H2
InChIKeyLKXIKHWCRUQZLN-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.23
Rot. Bonds

About 3-amino-2,3-dihydroindene-1,1-diol

3-amino-2,3-dihydroindene-1,1-diol (PubChem CID 70048051) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-amino-2,3-dihydroindene-1,1-diol.

Molecular Properties

Compound Name3-amino-2,3-dihydroindene-1,1-diol
PubChem CID70048051
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-amino-2,3-dihydroindene-1,1-diol
SMILESNC1CC(O)(O)c2ccccc21
InChIInChI=1S/C9H11NO2/c10-8-5-9(11,12)7-4-2-1-3-6(7)8/h1-4,8,11-12H,5,10H2
InChIKeyLKXIKHWCRUQZLN-UHFFFAOYSA-N
XLogP0.23
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-dihydroindene-1,1-diol?
The IUPAC name of 3-amino-2,3-dihydroindene-1,1-diol (CID 70048051) is 3-amino-2,3-dihydroindene-1,1-diol.
What is the SMILES notation for 3-amino-2,3-dihydroindene-1,1-diol?
The canonical SMILES for 3-amino-2,3-dihydroindene-1,1-diol is NC1CC(O)(O)c2ccccc21.
What is the InChIKey of 3-amino-2,3-dihydroindene-1,1-diol?
The InChIKey is LKXIKHWCRUQZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-8-5-9(11,12)7-4-2-1-3-6(7)8/h1-4,8,11-12H,5,10H2.
What are the key properties of 3-amino-2,3-dihydroindene-1,1-diol?
3-amino-2,3-dihydroindene-1,1-diol has a molecular weight of 165.19 g/mol, XLogP of 0.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-dihydroindene-1,1-diol is sourced from PubChem (CID 70048051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).