(3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

C13H17FN2O — CID 164603293

IUPAC(3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESN[C@@H]1c2c(F)cccc2C[C@H]1N1CC[C@@H](O)C1
InChIInChI=1S/C13H17FN2O/c14-10-3-1-2-8-6-11(13(15)12(8)10)16-5-4-9(17)7-16/h1-3,9,11,13,17H,4-7,15H2/t9-,11-,13+/m1/s1
InChIKeyRBWUIUVKTKXENA-XWIASGKRSA-N
MW236.29 g/mol
LogP0.82
Rot. Bonds1

About (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

(3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (PubChem CID 164603293) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
PubChem CID164603293
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESN[C@@H]1c2c(F)cccc2C[C@H]1N1CC[C@@H](O)C1
InChIInChI=1S/C13H17FN2O/c14-10-3-1-2-8-6-11(13(15)12(8)10)16-5-4-9(17)7-16/h1-3,9,11,13,17H,4-7,15H2/t9-,11-,13+/m1/s1
InChIKeyRBWUIUVKTKXENA-XWIASGKRSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (CID 164603293) is (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is N[C@@H]1c2c(F)cccc2C[C@H]1N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The InChIKey is RBWUIUVKTKXENA-XWIASGKRSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-10-3-1-2-8-6-11(13(15)12(8)10)16-5-4-9(17)7-16/h1-3,9,11,13,17H,4-7,15H2/t9-,11-,13+/m1/s1.
What are the key properties of (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
(3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol has a molecular weight of 236.29 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 164603293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).