3,4-dibenzyl-1H-pyrrole

C18H17N — CID 4984366

IUPAC3,4-dibenzyl-1H-pyrrole
SMILESc1ccc(Cc2c[nH]cc2Cc2ccccc2)cc1
InChIInChI=1S/C18H17N/c1-3-7-15(8-4-1)11-17-13-19-14-18(17)12-16-9-5-2-6-10-16/h1-10,13-14,19H,11-12H2
InChIKeyZGWMEKQEWCBLQH-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.20
Rot. Bonds4

About 3,4-dibenzyl-1H-pyrrole

3,4-dibenzyl-1H-pyrrole (PubChem CID 4984366) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 3,4-dibenzyl-1H-pyrrole.

Molecular Properties

Compound Name3,4-dibenzyl-1H-pyrrole
PubChem CID4984366
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name3,4-dibenzyl-1H-pyrrole
SMILESc1ccc(Cc2c[nH]cc2Cc2ccccc2)cc1
InChIInChI=1S/C18H17N/c1-3-7-15(8-4-1)11-17-13-19-14-18(17)12-16-9-5-2-6-10-16/h1-10,13-14,19H,11-12H2
InChIKeyZGWMEKQEWCBLQH-UHFFFAOYSA-N
XLogP4.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibenzyl-1H-pyrrole?
The IUPAC name of 3,4-dibenzyl-1H-pyrrole (CID 4984366) is 3,4-dibenzyl-1H-pyrrole.
What is the SMILES notation for 3,4-dibenzyl-1H-pyrrole?
The canonical SMILES for 3,4-dibenzyl-1H-pyrrole is c1ccc(Cc2c[nH]cc2Cc2ccccc2)cc1.
What is the InChIKey of 3,4-dibenzyl-1H-pyrrole?
The InChIKey is ZGWMEKQEWCBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-3-7-15(8-4-1)11-17-13-19-14-18(17)12-16-9-5-2-6-10-16/h1-10,13-14,19H,11-12H2.
What are the key properties of 3,4-dibenzyl-1H-pyrrole?
3,4-dibenzyl-1H-pyrrole has a molecular weight of 247.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibenzyl-1H-pyrrole is sourced from PubChem (CID 4984366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).