1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine

C20H22N2 — CID 101425247

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine
SMILESc1ccc(C2CCC(c3ccccc3)N2C2=NCCC2)cc1
InChIInChI=1S/C20H22N2/c1-3-8-16(9-4-1)18-13-14-19(17-10-5-2-6-11-17)22(18)20-12-7-15-21-20/h1-6,8-11,18-19H,7,12-15H2
InChIKeyHLIANWUEFPCIBD-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.76
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine

1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine (PubChem CID 101425247) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine
PubChem CID101425247
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine
SMILESc1ccc(C2CCC(c3ccccc3)N2C2=NCCC2)cc1
InChIInChI=1S/C20H22N2/c1-3-8-16(9-4-1)18-13-14-19(17-10-5-2-6-11-17)22(18)20-12-7-15-21-20/h1-6,8-11,18-19H,7,12-15H2
InChIKeyHLIANWUEFPCIBD-UHFFFAOYSA-N
XLogP4.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine (CID 101425247) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine is c1ccc(C2CCC(c3ccccc3)N2C2=NCCC2)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine?
The InChIKey is HLIANWUEFPCIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-3-8-16(9-4-1)18-13-14-19(17-10-5-2-6-11-17)22(18)20-12-7-15-21-20/h1-6,8-11,18-19H,7,12-15H2.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine?
1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine has a molecular weight of 290.41 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine is sourced from PubChem (CID 101425247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).