(1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol

C13H16ClNO — CID 18646756

IUPAC(1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2cc(Cl)ccc2[C@H]1N1CCCC1
InChIInChI=1S/C13H16ClNO/c14-10-3-4-11-9(7-10)8-12(16)13(11)15-5-1-2-6-15/h3-4,7,12-13,16H,1-2,5-6,8H2/t12-,13-/m1/s1
InChIKeyMCYZGAPIXODCSW-CHWSQXEVSA-N
MW237.73 g/mol
LogP2.39
Rot. Bonds1

About (1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol

(1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol (PubChem CID 18646756) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
PubChem CID18646756
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2cc(Cl)ccc2[C@H]1N1CCCC1
InChIInChI=1S/C13H16ClNO/c14-10-3-4-11-9(7-10)8-12(16)13(11)15-5-1-2-6-15/h3-4,7,12-13,16H,1-2,5-6,8H2/t12-,13-/m1/s1
InChIKeyMCYZGAPIXODCSW-CHWSQXEVSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol (CID 18646756) is (1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol is O[C@@H]1Cc2cc(Cl)ccc2[C@H]1N1CCCC1.
What is the InChIKey of (1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The InChIKey is MCYZGAPIXODCSW-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-10-3-4-11-9(7-10)8-12(16)13(11)15-5-1-2-6-15/h3-4,7,12-13,16H,1-2,5-6,8H2/t12-,13-/m1/s1.
What are the key properties of (1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
(1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol has a molecular weight of 237.73 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-5-chloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 18646756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).