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

C9H11NO2 — CID 19367757

IUPAC1-amino-2,3-dihydroindene-1,2-diol
SMILESNC1(O)c2ccccc2CC1O
InChIInChI=1S/C9H11NO2/c10-9(12)7-4-2-1-3-6(7)5-8(9)11/h1-4,8,11-12H,5,10H2
InChIKeyAOFVVFXAUVNYEV-UHFFFAOYSA-N
MW165.19 g/mol
LogP-0.29
Rot. Bonds

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

1-amino-2,3-dihydroindene-1,2-diol (PubChem CID 19367757) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-amino-2,3-dihydroindene-1,2-diol.

Molecular Properties

Compound Name1-amino-2,3-dihydroindene-1,2-diol
PubChem CID19367757
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-amino-2,3-dihydroindene-1,2-diol
SMILESNC1(O)c2ccccc2CC1O
InChIInChI=1S/C9H11NO2/c10-9(12)7-4-2-1-3-6(7)5-8(9)11/h1-4,8,11-12H,5,10H2
InChIKeyAOFVVFXAUVNYEV-UHFFFAOYSA-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 1-amino-2,3-dihydroindene-1,2-diol?
The IUPAC name of 1-amino-2,3-dihydroindene-1,2-diol (CID 19367757) is 1-amino-2,3-dihydroindene-1,2-diol.
What is the SMILES notation for 1-amino-2,3-dihydroindene-1,2-diol?
The canonical SMILES for 1-amino-2,3-dihydroindene-1,2-diol is NC1(O)c2ccccc2CC1O.
What is the InChIKey of 1-amino-2,3-dihydroindene-1,2-diol?
The InChIKey is AOFVVFXAUVNYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-9(12)7-4-2-1-3-6(7)5-8(9)11/h1-4,8,11-12H,5,10H2.
What are the key properties of 1-amino-2,3-dihydroindene-1,2-diol?
1-amino-2,3-dihydroindene-1,2-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 1-amino-2,3-dihydroindene-1,2-diol is sourced from PubChem (CID 19367757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).