(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol

C13H17NO — CID 14126785

IUPAC(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@@H]1N1CCCC1
InChIInChI=1S/C13H17NO/c15-12-9-10-5-1-2-6-11(10)13(12)14-7-3-4-8-14/h1-2,5-6,12-13,15H,3-4,7-9H2/t12-,13-/m0/s1
InChIKeyYWJGJYXDQXXXLJ-STQMWFEESA-N
MW203.29 g/mol
LogP1.74
Rot. Bonds1

About (1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol

(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol (PubChem CID 14126785) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
PubChem CID14126785
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@@H]1N1CCCC1
InChIInChI=1S/C13H17NO/c15-12-9-10-5-1-2-6-11(10)13(12)14-7-3-4-8-14/h1-2,5-6,12-13,15H,3-4,7-9H2/t12-,13-/m0/s1
InChIKeyYWJGJYXDQXXXLJ-STQMWFEESA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol (CID 14126785) is (1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol is O[C@H]1Cc2ccccc2[C@@H]1N1CCCC1.
What is the InChIKey of (1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The InChIKey is YWJGJYXDQXXXLJ-STQMWFEESA-N. The full InChI is InChI=1S/C13H17NO/c15-12-9-10-5-1-2-6-11(10)13(12)14-7-3-4-8-14/h1-2,5-6,12-13,15H,3-4,7-9H2/t12-,13-/m0/s1.
What are the key properties of (1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol has a molecular weight of 203.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 14126785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).