1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine]

C22H23FN2O2 — CID 11280048

IUPAC1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine]
SMILESFc1ccc(OCCN2CCC3(C2)OCCc2c3[nH]c3ccccc23)cc1
InChIInChI=1S/C22H23FN2O2/c23-16-5-7-17(8-6-16)26-14-12-25-11-10-22(15-25)21-19(9-13-27-22)18-3-1-2-4-20(18)24-21/h1-8,24H,9-15H2
InChIKeyPDPDQOQIVWEUPH-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.86
Rot. Bonds4

About 1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine]

1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine] (PubChem CID 11280048) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine].

Molecular Properties

Compound Name1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine]
PubChem CID11280048
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine]
SMILESFc1ccc(OCCN2CCC3(C2)OCCc2c3[nH]c3ccccc23)cc1
InChIInChI=1S/C22H23FN2O2/c23-16-5-7-17(8-6-16)26-14-12-25-11-10-22(15-25)21-19(9-13-27-22)18-3-1-2-4-20(18)24-21/h1-8,24H,9-15H2
InChIKeyPDPDQOQIVWEUPH-UHFFFAOYSA-N
XLogP3.86
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine]?
The IUPAC name of 1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine] (CID 11280048) is 1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine].
What is the SMILES notation for 1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine]?
The canonical SMILES for 1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine] is Fc1ccc(OCCN2CCC3(C2)OCCc2c3[nH]c3ccccc23)cc1.
What is the InChIKey of 1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine]?
The InChIKey is PDPDQOQIVWEUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-16-5-7-17(8-6-16)26-14-12-25-11-10-22(15-25)21-19(9-13-27-22)18-3-1-2-4-20(18)24-21/h1-8,24H,9-15H2.
What are the key properties of 1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine]?
1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine] has a molecular weight of 366.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-fluorophenoxy)ethyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,3'-pyrrolidine] is sourced from PubChem (CID 11280048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).