(1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride

C10H14ClNO2 — CID 162316189

IUPAC(1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride
SMILESCC1(N)c2ccccc2[C@H](O)[C@H]1O.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-10(11)7-5-3-2-4-6(7)8(12)9(10)13;/h2-5,8-9,12-13H,11H2,1H3;1H/t8-,9+,10?;/m0./s1
InChIKeyKLWKLAFOZBYBRB-BXEJEDLJSA-N
MW215.68 g/mol
LogP0.69
Rot. Bonds

About (1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride

(1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride (PubChem CID 162316189) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is (1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride
PubChem CID162316189
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name(1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride
SMILESCC1(N)c2ccccc2[C@H](O)[C@H]1O.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-10(11)7-5-3-2-4-6(7)8(12)9(10)13;/h2-5,8-9,12-13H,11H2,1H3;1H/t8-,9+,10?;/m0./s1
InChIKeyKLWKLAFOZBYBRB-BXEJEDLJSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 131859580
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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride?
The IUPAC name of (1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride (CID 162316189) is (1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride.
What is the SMILES notation for (1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride?
The canonical SMILES for (1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride is CC1(N)c2ccccc2[C@H](O)[C@H]1O.Cl.
What is the InChIKey of (1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride?
The InChIKey is KLWKLAFOZBYBRB-BXEJEDLJSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-10(11)7-5-3-2-4-6(7)8(12)9(10)13;/h2-5,8-9,12-13H,11H2,1H3;1H/t8-,9+,10?;/m0./s1.
What are the key properties of (1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride?
(1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride is sourced from PubChem (CID 162316189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).