2-benzyl-5-(furan-2-yl)-1H-pyrrole

C15H13NO — CID 70680081

IUPAC2-benzyl-5-(furan-2-yl)-1H-pyrrole
SMILESc1ccc(Cc2ccc(-c3ccco3)[nH]2)cc1
InChIInChI=1S/C15H13NO/c1-2-5-12(6-3-1)11-13-8-9-14(16-13)15-7-4-10-17-15/h1-10,16H,11H2
InChIKeyJUOSRNQVNAWROZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.87
Rot. Bonds3

About 2-benzyl-5-(furan-2-yl)-1H-pyrrole

2-benzyl-5-(furan-2-yl)-1H-pyrrole (PubChem CID 70680081) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-benzyl-5-(furan-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-benzyl-5-(furan-2-yl)-1H-pyrrole
PubChem CID70680081
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-benzyl-5-(furan-2-yl)-1H-pyrrole
SMILESc1ccc(Cc2ccc(-c3ccco3)[nH]2)cc1
InChIInChI=1S/C15H13NO/c1-2-5-12(6-3-1)11-13-8-9-14(16-13)15-7-4-10-17-15/h1-10,16H,11H2
InChIKeyJUOSRNQVNAWROZ-UHFFFAOYSA-N
XLogP3.87
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(furan-2-yl)-1H-pyrrole?
The IUPAC name of 2-benzyl-5-(furan-2-yl)-1H-pyrrole (CID 70680081) is 2-benzyl-5-(furan-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-benzyl-5-(furan-2-yl)-1H-pyrrole?
The canonical SMILES for 2-benzyl-5-(furan-2-yl)-1H-pyrrole is c1ccc(Cc2ccc(-c3ccco3)[nH]2)cc1.
What is the InChIKey of 2-benzyl-5-(furan-2-yl)-1H-pyrrole?
The InChIKey is JUOSRNQVNAWROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-2-5-12(6-3-1)11-13-8-9-14(16-13)15-7-4-10-17-15/h1-10,16H,11H2.
What are the key properties of 2-benzyl-5-(furan-2-yl)-1H-pyrrole?
2-benzyl-5-(furan-2-yl)-1H-pyrrole has a molecular weight of 223.28 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(furan-2-yl)-1H-pyrrole is sourced from PubChem (CID 70680081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).