2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane

C21H30N2O — CID 24771397

IUPAC2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane
SMILESc1cc2c(cc1OCCC1CC3CCN1C3)C(N1CCCC1)CC2
InChIInChI=1S/C21H30N2O/c1-2-10-22(9-1)21-6-4-17-3-5-19(14-20(17)21)24-12-8-18-13-16-7-11-23(18)15-16/h3,5,14,16,18,21H,1-2,4,6-13,15H2
InChIKeyCHRHMEPDJWVSSO-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.63
Rot. Bonds5

About 2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane

2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane (PubChem CID 24771397) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane
PubChem CID24771397
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane
SMILESc1cc2c(cc1OCCC1CC3CCN1C3)C(N1CCCC1)CC2
InChIInChI=1S/C21H30N2O/c1-2-10-22(9-1)21-6-4-17-3-5-19(14-20(17)21)24-12-8-18-13-16-7-11-23(18)15-16/h3,5,14,16,18,21H,1-2,4,6-13,15H2
InChIKeyCHRHMEPDJWVSSO-UHFFFAOYSA-N
XLogP3.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane (CID 24771397) is 2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane is c1cc2c(cc1OCCC1CC3CCN1C3)C(N1CCCC1)CC2.
What is the InChIKey of 2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane?
The InChIKey is CHRHMEPDJWVSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-2-10-22(9-1)21-6-4-17-3-5-19(14-20(17)21)24-12-8-18-13-16-7-11-23(18)15-16/h3,5,14,16,18,21H,1-2,4,6-13,15H2.
What are the key properties of 2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane?
2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane has a molecular weight of 326.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 24771397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).