5-methyl-2,2-diphenyl-3,4-dihydropyrrole

C17H17N — CID 134964625

IUPAC5-methyl-2,2-diphenyl-3,4-dihydropyrrole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C17H17N/c1-14-12-13-17(18-14,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyWLQBZABHRRFADH-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.18
Rot. Bonds2

About 5-methyl-2,2-diphenyl-3,4-dihydropyrrole

5-methyl-2,2-diphenyl-3,4-dihydropyrrole (PubChem CID 134964625) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methyl-2,2-diphenyl-3,4-dihydropyrrole.

Molecular Properties

Compound Name5-methyl-2,2-diphenyl-3,4-dihydropyrrole
PubChem CID134964625
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name5-methyl-2,2-diphenyl-3,4-dihydropyrrole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C17H17N/c1-14-12-13-17(18-14,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyWLQBZABHRRFADH-UHFFFAOYSA-N
XLogP4.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,2-diphenyl-3,4-dihydropyrrole?
The IUPAC name of 5-methyl-2,2-diphenyl-3,4-dihydropyrrole (CID 134964625) is 5-methyl-2,2-diphenyl-3,4-dihydropyrrole.
What is the SMILES notation for 5-methyl-2,2-diphenyl-3,4-dihydropyrrole?
The canonical SMILES for 5-methyl-2,2-diphenyl-3,4-dihydropyrrole is CC1=NC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 5-methyl-2,2-diphenyl-3,4-dihydropyrrole?
The InChIKey is WLQBZABHRRFADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-14-12-13-17(18-14,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3.
What are the key properties of 5-methyl-2,2-diphenyl-3,4-dihydropyrrole?
5-methyl-2,2-diphenyl-3,4-dihydropyrrole has a molecular weight of 235.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,2-diphenyl-3,4-dihydropyrrole is sourced from PubChem (CID 134964625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).