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

C17H17N — CID 10513929

IUPAC2-methyl-2,5-diphenyl-3,4-dihydropyrrole
SMILESCC1(c2ccccc2)CCC(c2ccccc2)=N1
InChIInChI=1S/C17H17N/c1-17(15-10-6-3-7-11-15)13-12-16(18-17)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKeyKIIBWPGMEWXRAI-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.18
Rot. Bonds2

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

2-methyl-2,5-diphenyl-3,4-dihydropyrrole (PubChem CID 10513929) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-2,5-diphenyl-3,4-dihydropyrrole.

Molecular Properties

Compound Name2-methyl-2,5-diphenyl-3,4-dihydropyrrole
PubChem CID10513929
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-methyl-2,5-diphenyl-3,4-dihydropyrrole
SMILESCC1(c2ccccc2)CCC(c2ccccc2)=N1
InChIInChI=1S/C17H17N/c1-17(15-10-6-3-7-11-15)13-12-16(18-17)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKeyKIIBWPGMEWXRAI-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 2-methyl-2,5-diphenyl-3,4-dihydropyrrole?
The IUPAC name of 2-methyl-2,5-diphenyl-3,4-dihydropyrrole (CID 10513929) is 2-methyl-2,5-diphenyl-3,4-dihydropyrrole.
What is the SMILES notation for 2-methyl-2,5-diphenyl-3,4-dihydropyrrole?
The canonical SMILES for 2-methyl-2,5-diphenyl-3,4-dihydropyrrole is CC1(c2ccccc2)CCC(c2ccccc2)=N1.
What is the InChIKey of 2-methyl-2,5-diphenyl-3,4-dihydropyrrole?
The InChIKey is KIIBWPGMEWXRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-17(15-10-6-3-7-11-15)13-12-16(18-17)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3.
What are the key properties of 2-methyl-2,5-diphenyl-3,4-dihydropyrrole?
2-methyl-2,5-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 2-methyl-2,5-diphenyl-3,4-dihydropyrrole is sourced from PubChem (CID 10513929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).