(2R)-2-amino-2,3-dihydroindene-1,1-diol

C9H11NO2 — CID 67556728

IUPAC(2R)-2-amino-2,3-dihydroindene-1,1-diol
SMILESN[C@@H]1Cc2ccccc2C1(O)O
InChIInChI=1S/C9H11NO2/c10-8-5-6-3-1-2-4-7(6)9(8,11)12/h1-4,8,11-12H,5,10H2/t8-/m1/s1
InChIKeyFTKKDIDYBZTVRG-MRVPVSSYSA-N
MW165.19 g/mol
LogP-0.29
Rot. Bonds

About (2R)-2-amino-2,3-dihydroindene-1,1-diol

(2R)-2-amino-2,3-dihydroindene-1,1-diol (PubChem CID 67556728) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2R)-2-amino-2,3-dihydroindene-1,1-diol.

Molecular Properties

Compound Name(2R)-2-amino-2,3-dihydroindene-1,1-diol
PubChem CID67556728
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(2R)-2-amino-2,3-dihydroindene-1,1-diol
SMILESN[C@@H]1Cc2ccccc2C1(O)O
InChIInChI=1S/C9H11NO2/c10-8-5-6-3-1-2-4-7(6)9(8,11)12/h1-4,8,11-12H,5,10H2/t8-/m1/s1
InChIKeyFTKKDIDYBZTVRG-MRVPVSSYSA-N
XLogP-0.29
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 ≤ 5-0.29
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 (2R)-2-amino-2,3-dihydroindene-1,1-diol?
The IUPAC name of (2R)-2-amino-2,3-dihydroindene-1,1-diol (CID 67556728) is (2R)-2-amino-2,3-dihydroindene-1,1-diol.
What is the SMILES notation for (2R)-2-amino-2,3-dihydroindene-1,1-diol?
The canonical SMILES for (2R)-2-amino-2,3-dihydroindene-1,1-diol is N[C@@H]1Cc2ccccc2C1(O)O.
What is the InChIKey of (2R)-2-amino-2,3-dihydroindene-1,1-diol?
The InChIKey is FTKKDIDYBZTVRG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-8-5-6-3-1-2-4-7(6)9(8,11)12/h1-4,8,11-12H,5,10H2/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2,3-dihydroindene-1,1-diol?
(2R)-2-amino-2,3-dihydroindene-1,1-diol has a molecular weight of 165.19 g/mol, XLogP of -0.29, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2,3-dihydroindene-1,1-diol is sourced from PubChem (CID 67556728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).