(1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol

C9H11NO — CID 10582937

IUPAC(1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol
SMILES[2H][C@@H]1c2ccccc2[C@@H](O)[C@@H]1N
InChIInChI=1S/C9H11NO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5,10H2/t8-,9-/m1/s1/i5D/t5-,8-,9-
InChIKeyHRWCWYGWEVVDLT-RBGDDHRTSA-N
MW150.20 g/mol
LogP0.60
Rot. Bonds

About (1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol

(1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol (PubChem CID 10582937) has the molecular formula C9H11NO and a molecular weight of 150.20 g/mol. Its IUPAC name is (1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol
PubChem CID10582937
Molecular FormulaC9H11NO
Molecular Weight150.20 g/mol
Exact Mass150.09
IUPAC Name(1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol
SMILES[2H][C@@H]1c2ccccc2[C@@H](O)[C@@H]1N
InChIInChI=1S/C9H11NO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5,10H2/t8-,9-/m1/s1/i5D/t5-,8-,9-
InChIKeyHRWCWYGWEVVDLT-RBGDDHRTSA-N
XLogP0.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992
decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
CID 10033475
2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol
CID 79227500
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 67549579
(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
CID 142687946
(2S)-1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 143629667
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel
CID 177486756

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol (CID 10582937) is (1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol is [2H][C@@H]1c2ccccc2[C@@H](O)[C@@H]1N.
What is the InChIKey of (1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol?
The InChIKey is HRWCWYGWEVVDLT-RBGDDHRTSA-N. The full InChI is InChI=1S/C9H11NO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5,10H2/t8-,9-/m1/s1/i5D/t5-,8-,9-.
What are the key properties of (1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol?
(1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol has a molecular weight of 150.20 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 10582937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).