5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole

C19H21NSe — CID 162407810

IUPAC5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)([Se]c1ccccc1)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H21NSe/c1-19(2,21-16-11-7-4-8-12-16)18-14-13-17(20-18)15-9-5-3-6-10-15/h3-12,18H,13-14H2,1-2H3
InChIKeyGFUNKDRQXXGMMQ-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.87
Rot. Bonds4

About 5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole

5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole (PubChem CID 162407810) has the molecular formula C19H21NSe and a molecular weight of 342.34 g/mol. Its IUPAC name is 5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole
PubChem CID162407810
Molecular FormulaC19H21NSe
Molecular Weight342.34 g/mol
Exact Mass343.08
IUPAC Name5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)([Se]c1ccccc1)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H21NSe/c1-19(2,21-16-11-7-4-8-12-16)18-14-13-17(20-18)15-9-5-3-6-10-15/h3-12,18H,13-14H2,1-2H3
InChIKeyGFUNKDRQXXGMMQ-UHFFFAOYSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole (CID 162407810) is 5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole is CC(C)([Se]c1ccccc1)C1CCC(c2ccccc2)=N1.
What is the InChIKey of 5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole?
The InChIKey is GFUNKDRQXXGMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NSe/c1-19(2,21-16-11-7-4-8-12-16)18-14-13-17(20-18)15-9-5-3-6-10-15/h3-12,18H,13-14H2,1-2H3.
What are the key properties of 5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole?
5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole has a molecular weight of 342.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(2-phenylselanylpropan-2-yl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 162407810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).