1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole

C14H15BrN2 — CID 91677050

IUPAC1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole
SMILESBrc1cc(-n2cccc2)ccc1N1CCCC1
InChIInChI=1S/C14H15BrN2/c15-13-11-12(16-7-1-2-8-16)5-6-14(13)17-9-3-4-10-17/h1-2,5-8,11H,3-4,9-10H2
InChIKeyLRSRKHYJZPUNEQ-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.84
Rot. Bonds2

About 1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole

1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole (PubChem CID 91677050) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole.

Molecular Properties

Compound Name1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole
PubChem CID91677050
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole
SMILESBrc1cc(-n2cccc2)ccc1N1CCCC1
InChIInChI=1S/C14H15BrN2/c15-13-11-12(16-7-1-2-8-16)5-6-14(13)17-9-3-4-10-17/h1-2,5-8,11H,3-4,9-10H2
InChIKeyLRSRKHYJZPUNEQ-UHFFFAOYSA-N
XLogP3.84
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole?
The IUPAC name of 1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole (CID 91677050) is 1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole.
What is the SMILES notation for 1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole?
The canonical SMILES for 1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole is Brc1cc(-n2cccc2)ccc1N1CCCC1.
What is the InChIKey of 1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole?
The InChIKey is LRSRKHYJZPUNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-13-11-12(16-7-1-2-8-16)5-6-14(13)17-9-3-4-10-17/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole?
1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole has a molecular weight of 291.19 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole is sourced from PubChem (CID 91677050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).