1-phenylpyrrole

C10H9N — CID 12480

IUPAC1-phenylpyrrole
SMILESc1ccc(-n2cccc2)cc1
InChIInChI=1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H
InChIKeyGEZGAZKEOUKLBR-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.48
Rot. Bonds1

About 1-phenylpyrrole

1-phenylpyrrole (PubChem CID 12480) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-phenylpyrrole.

Molecular Properties

Compound Name1-phenylpyrrole
PubChem CID12480
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name1-phenylpyrrole
SMILESc1ccc(-n2cccc2)cc1
InChIInChI=1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H
InChIKeyGEZGAZKEOUKLBR-UHFFFAOYSA-N
XLogP2.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrrole?
The IUPAC name of 1-phenylpyrrole (CID 12480) is 1-phenylpyrrole.
What is the SMILES notation for 1-phenylpyrrole?
The canonical SMILES for 1-phenylpyrrole is c1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-phenylpyrrole?
The InChIKey is GEZGAZKEOUKLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H.
What are the key properties of 1-phenylpyrrole?
1-phenylpyrrole has a molecular weight of 143.19 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrrole is sourced from PubChem (CID 12480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).