[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium

C9H12NO+ — CID 11859592

IUPAC[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium
SMILES[NH3+][C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/p+1/t8-,9+/m0/s1
InChIKeyLOPKSXMQWBYUOI-DTWKUNHWSA-O
MW150.20 g/mol
LogP-0.11
Rot. Bonds

About [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium

[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium (PubChem CID 11859592) has the molecular formula C9H12NO+ and a molecular weight of 150.20 g/mol. Its IUPAC name is [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium.

Molecular Properties

Compound Name[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium
PubChem CID11859592
Molecular FormulaC9H12NO+
Molecular Weight150.20 g/mol
Exact Mass150.09
IUPAC Name[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium
SMILES[NH3+][C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/p+1/t8-,9+/m0/s1
InChIKeyLOPKSXMQWBYUOI-DTWKUNHWSA-O
XLogP-0.11
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025
(1R,2S)-(+)-cis-1-Amino-2-indanol
CID 2725045
(1S,2R)-(-)-1-Amino-2-indanol
CID 9866743
2-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 203118
2-Amino-2-phenylethan-1-ol
CID 134797
1-Amino-2-indanol
CID 139034
1,3a,4,8b-Tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide
CID 10013378
((1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiourea
CID 3072136
1-Amino-2-indanol, trans-(-)-
CID 6931154
(1S,2S)-1-Amino-2-indanol
CID 6931156
3-amino-2,3-dihydro-1H-inden-1-ol
CID 9855521

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium?
The IUPAC name of [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium (CID 11859592) is [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium.
What is the SMILES notation for [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium?
The canonical SMILES for [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium is [NH3+][C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium?
The InChIKey is LOPKSXMQWBYUOI-DTWKUNHWSA-O. The full InChI is InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/p+1/t8-,9+/m0/s1.
What are the key properties of [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium?
[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium has a molecular weight of 150.20 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium is sourced from PubChem (CID 11859592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).