1,2-diphenyl-2,5-dihydropyrrole

C16H15N — CID 135025018

IUPAC1,2-diphenyl-2,5-dihydropyrrole
SMILESC1=CC(c2ccccc2)N(c2ccccc2)C1
InChIInChI=1S/C16H15N/c1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15/h1-12,16H,13H2
InChIKeyUUHLCXPMEDOTTJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.80
Rot. Bonds2

About 1,2-diphenyl-2,5-dihydropyrrole

1,2-diphenyl-2,5-dihydropyrrole (PubChem CID 135025018) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 1,2-diphenyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1,2-diphenyl-2,5-dihydropyrrole
PubChem CID135025018
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name1,2-diphenyl-2,5-dihydropyrrole
SMILESC1=CC(c2ccccc2)N(c2ccccc2)C1
InChIInChI=1S/C16H15N/c1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15/h1-12,16H,13H2
InChIKeyUUHLCXPMEDOTTJ-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2,5-dihydropyrrole?
The IUPAC name of 1,2-diphenyl-2,5-dihydropyrrole (CID 135025018) is 1,2-diphenyl-2,5-dihydropyrrole.
What is the SMILES notation for 1,2-diphenyl-2,5-dihydropyrrole?
The canonical SMILES for 1,2-diphenyl-2,5-dihydropyrrole is C1=CC(c2ccccc2)N(c2ccccc2)C1.
What is the InChIKey of 1,2-diphenyl-2,5-dihydropyrrole?
The InChIKey is UUHLCXPMEDOTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15/h1-12,16H,13H2.
What are the key properties of 1,2-diphenyl-2,5-dihydropyrrole?
1,2-diphenyl-2,5-dihydropyrrole has a molecular weight of 221.30 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2,5-dihydropyrrole is sourced from PubChem (CID 135025018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).