1,2-dibenzylpyrrole

C18H17N — CID 15912413

IUPAC1,2-dibenzylpyrrole
SMILESc1ccc(Cc2cccn2Cc2ccccc2)cc1
InChIInChI=1S/C18H17N/c1-3-8-16(9-4-1)14-18-12-7-13-19(18)15-17-10-5-2-6-11-17/h1-13H,14-15H2
InChIKeyNPKYWBCZRJYRHW-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.13
Rot. Bonds4

About 1,2-dibenzylpyrrole

1,2-dibenzylpyrrole (PubChem CID 15912413) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 1,2-dibenzylpyrrole.

Molecular Properties

Compound Name1,2-dibenzylpyrrole
PubChem CID15912413
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name1,2-dibenzylpyrrole
SMILESc1ccc(Cc2cccn2Cc2ccccc2)cc1
InChIInChI=1S/C18H17N/c1-3-8-16(9-4-1)14-18-12-7-13-19(18)15-17-10-5-2-6-11-17/h1-13H,14-15H2
InChIKeyNPKYWBCZRJYRHW-UHFFFAOYSA-N
XLogP4.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzylpyrrole?
The IUPAC name of 1,2-dibenzylpyrrole (CID 15912413) is 1,2-dibenzylpyrrole.
What is the SMILES notation for 1,2-dibenzylpyrrole?
The canonical SMILES for 1,2-dibenzylpyrrole is c1ccc(Cc2cccn2Cc2ccccc2)cc1.
What is the InChIKey of 1,2-dibenzylpyrrole?
The InChIKey is NPKYWBCZRJYRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-3-8-16(9-4-1)14-18-12-7-13-19(18)15-17-10-5-2-6-11-17/h1-13H,14-15H2.
What are the key properties of 1,2-dibenzylpyrrole?
1,2-dibenzylpyrrole has a molecular weight of 247.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzylpyrrole is sourced from PubChem (CID 15912413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).