3,5-diphenyl-3,4-dihydro-2H-pyrrole

C16H15N — CID 2750773

IUPAC3,5-diphenyl-3,4-dihydro-2H-pyrrole
SMILESc1ccc(C2=NCC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H15N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyLFPDKGXXRBKSMO-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.66
Rot. Bonds2

About 3,5-diphenyl-3,4-dihydro-2H-pyrrole

3,5-diphenyl-3,4-dihydro-2H-pyrrole (PubChem CID 2750773) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,5-diphenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name3,5-diphenyl-3,4-dihydro-2H-pyrrole
PubChem CID2750773
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3,5-diphenyl-3,4-dihydro-2H-pyrrole
SMILESc1ccc(C2=NCC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H15N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyLFPDKGXXRBKSMO-UHFFFAOYSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 3,5-diphenyl-3,4-dihydro-2H-pyrrole (CID 2750773) is 3,5-diphenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 3,5-diphenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 3,5-diphenyl-3,4-dihydro-2H-pyrrole is c1ccc(C2=NCC(c3ccccc3)C2)cc1.
What is the InChIKey of 3,5-diphenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is LFPDKGXXRBKSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of 3,5-diphenyl-3,4-dihydro-2H-pyrrole?
3,5-diphenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 221.30 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 2750773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).