1-benzyl-4-deuterio-2-phenylpyrrole

C17H15N — CID 102256232

IUPAC1-benzyl-4-deuterio-2-phenylpyrrole
SMILES[2H]c1cc(-c2ccccc2)n(Cc2ccccc2)c1
InChIInChI=1S/C17H15N/c1-3-8-15(9-4-1)14-18-13-7-12-17(18)16-10-5-2-6-11-16/h1-13H,14H2/i7D
InChIKeyHVABRNZGGGRHML-WHRKIXHSSA-N
MW234.32 g/mol
LogP4.20
Rot. Bonds3

About 1-benzyl-4-deuterio-2-phenylpyrrole

1-benzyl-4-deuterio-2-phenylpyrrole (PubChem CID 102256232) has the molecular formula C17H15N and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-benzyl-4-deuterio-2-phenylpyrrole.

Molecular Properties

Compound Name1-benzyl-4-deuterio-2-phenylpyrrole
PubChem CID102256232
Molecular FormulaC17H15N
Molecular Weight234.32 g/mol
Exact Mass234.13
IUPAC Name1-benzyl-4-deuterio-2-phenylpyrrole
SMILES[2H]c1cc(-c2ccccc2)n(Cc2ccccc2)c1
InChIInChI=1S/C17H15N/c1-3-8-15(9-4-1)14-18-13-7-12-17(18)16-10-5-2-6-11-16/h1-13H,14H2/i7D
InChIKeyHVABRNZGGGRHML-WHRKIXHSSA-N
XLogP4.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-deuterio-2-phenylpyrrole?
The IUPAC name of 1-benzyl-4-deuterio-2-phenylpyrrole (CID 102256232) is 1-benzyl-4-deuterio-2-phenylpyrrole.
What is the SMILES notation for 1-benzyl-4-deuterio-2-phenylpyrrole?
The canonical SMILES for 1-benzyl-4-deuterio-2-phenylpyrrole is [2H]c1cc(-c2ccccc2)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-4-deuterio-2-phenylpyrrole?
The InChIKey is HVABRNZGGGRHML-WHRKIXHSSA-N. The full InChI is InChI=1S/C17H15N/c1-3-8-15(9-4-1)14-18-13-7-12-17(18)16-10-5-2-6-11-16/h1-13H,14H2/i7D.
What are the key properties of 1-benzyl-4-deuterio-2-phenylpyrrole?
1-benzyl-4-deuterio-2-phenylpyrrole has a molecular weight of 234.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-deuterio-2-phenylpyrrole is sourced from PubChem (CID 102256232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).