(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine

C13H17N — CID 125041313

IUPAC(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
SMILESc1ccc2c(c1)CC[C@H]2[C@H]1CCCN1
InChIInChI=1S/C13H17N/c1-2-5-11-10(4-1)7-8-12(11)13-6-3-9-14-13/h1-2,4-5,12-14H,3,6-9H2/t12-,13-/m1/s1
InChIKeyOHCUTKFDCYOXIQ-CHWSQXEVSA-N
MW187.29 g/mol
LogP2.47
Rot. Bonds1

About (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine

(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine (PubChem CID 125041313) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
PubChem CID125041313
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
SMILESc1ccc2c(c1)CC[C@H]2[C@H]1CCCN1
InChIInChI=1S/C13H17N/c1-2-5-11-10(4-1)7-8-12(11)13-6-3-9-14-13/h1-2,4-5,12-14H,3,6-9H2/t12-,13-/m1/s1
InChIKeyOHCUTKFDCYOXIQ-CHWSQXEVSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine?
The IUPAC name of (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine (CID 125041313) is (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine?
The canonical SMILES for (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine is c1ccc2c(c1)CC[C@H]2[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine?
The InChIKey is OHCUTKFDCYOXIQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H17N/c1-2-5-11-10(4-1)7-8-12(11)13-6-3-9-14-13/h1-2,4-5,12-14H,3,6-9H2/t12-,13-/m1/s1.
What are the key properties of (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine?
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine has a molecular weight of 187.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine is sourced from PubChem (CID 125041313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).