2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol

C13H17NO — CID 11095706

IUPAC2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol
SMILESOC1([C@@H]2CCCN2)Cc2ccccc2C1
InChIInChI=1S/C13H17NO/c15-13(12-6-3-7-14-12)8-10-4-1-2-5-11(10)9-13/h1-2,4-5,12,14-15H,3,6-9H2/t12-/m0/s1
InChIKeyAPGOZZJUJJGCGF-LBPRGKRZSA-N
MW203.29 g/mol
LogP1.27
Rot. Bonds1

About 2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol

2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol (PubChem CID 11095706) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol
PubChem CID11095706
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol
SMILESOC1([C@@H]2CCCN2)Cc2ccccc2C1
InChIInChI=1S/C13H17NO/c15-13(12-6-3-7-14-12)8-10-4-1-2-5-11(10)9-13/h1-2,4-5,12,14-15H,3,6-9H2/t12-/m0/s1
InChIKeyAPGOZZJUJJGCGF-LBPRGKRZSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol (CID 11095706) is 2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol is OC1([C@@H]2CCCN2)Cc2ccccc2C1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol?
The InChIKey is APGOZZJUJJGCGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO/c15-13(12-6-3-7-14-12)8-10-4-1-2-5-11(10)9-13/h1-2,4-5,12,14-15H,3,6-9H2/t12-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol?
2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol has a molecular weight of 203.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol is sourced from PubChem (CID 11095706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).