3-phenyl-1H-pyrrole

C10H9N — CID 5324110

IUPAC3-phenyl-1H-pyrrole
SMILESc1ccc(-c2cc[nH]c2)cc1
InChIInChI=1S/C10H9N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8,11H
InChIKeyLJDRAKFYYGCAQC-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.68
Rot. Bonds1

About 3-phenyl-1H-pyrrole

3-phenyl-1H-pyrrole (PubChem CID 5324110) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-phenyl-1H-pyrrole.

Molecular Properties

Compound Name3-phenyl-1H-pyrrole
PubChem CID5324110
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name3-phenyl-1H-pyrrole
SMILESc1ccc(-c2cc[nH]c2)cc1
InChIInChI=1S/C10H9N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8,11H
InChIKeyLJDRAKFYYGCAQC-UHFFFAOYSA-N
XLogP2.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-pyrrole?
The IUPAC name of 3-phenyl-1H-pyrrole (CID 5324110) is 3-phenyl-1H-pyrrole.
What is the SMILES notation for 3-phenyl-1H-pyrrole?
The canonical SMILES for 3-phenyl-1H-pyrrole is c1ccc(-c2cc[nH]c2)cc1.
What is the InChIKey of 3-phenyl-1H-pyrrole?
The InChIKey is LJDRAKFYYGCAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8,11H.
What are the key properties of 3-phenyl-1H-pyrrole?
3-phenyl-1H-pyrrole has a molecular weight of 143.19 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-pyrrole is sourced from PubChem (CID 5324110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).