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

C16H15N — CID 144943042

IUPAC2,4-diphenyl-3,4-dihydro-2H-pyrrole
SMILESC1=NC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C16H15N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1-10,12,15-16H,11H2
InChIKeyLDIVRBPQHUTGIS-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.99
Rot. Bonds2

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

2,4-diphenyl-3,4-dihydro-2H-pyrrole (PubChem CID 144943042) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,4-diphenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2,4-diphenyl-3,4-dihydro-2H-pyrrole
PubChem CID144943042
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2,4-diphenyl-3,4-dihydro-2H-pyrrole
SMILESC1=NC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C16H15N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1-10,12,15-16H,11H2
InChIKeyLDIVRBPQHUTGIS-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-fluoro-4-phenyl-3,4-dihydropyrazole
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(4R)-4-phenyl-4,5-dihydro-1,2-oxazole
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CID 76967138
2-phenyl-3,5-dihydro-2H-pyridin-4-one
CID 91380301
(3R)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2,4-diphenyl-3,4-dihydro-2H-pyrrole (CID 144943042) is 2,4-diphenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2,4-diphenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2,4-diphenyl-3,4-dihydro-2H-pyrrole is C1=NC(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 2,4-diphenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is LDIVRBPQHUTGIS-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/h1-10,12,15-16H,11H2.
What are the key properties of 2,4-diphenyl-3,4-dihydro-2H-pyrrole?
2,4-diphenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 221.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 144943042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).