1-(2-bromo-4-cyclopropylphenyl)pyrrolidine

C13H16BrN — CID 164662449

IUPAC1-(2-bromo-4-cyclopropylphenyl)pyrrolidine
SMILESBrc1cc(C2CC2)ccc1N1CCCC1
InChIInChI=1S/C13H16BrN/c14-12-9-11(10-3-4-10)5-6-13(12)15-7-1-2-8-15/h5-6,9-10H,1-4,7-8H2
InChIKeyZIUBVNQSPUJLSO-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.93
Rot. Bonds2

About 1-(2-bromo-4-cyclopropylphenyl)pyrrolidine

1-(2-bromo-4-cyclopropylphenyl)pyrrolidine (PubChem CID 164662449) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 1-(2-bromo-4-cyclopropylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-bromo-4-cyclopropylphenyl)pyrrolidine
PubChem CID164662449
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name1-(2-bromo-4-cyclopropylphenyl)pyrrolidine
SMILESBrc1cc(C2CC2)ccc1N1CCCC1
InChIInChI=1S/C13H16BrN/c14-12-9-11(10-3-4-10)5-6-13(12)15-7-1-2-8-15/h5-6,9-10H,1-4,7-8H2
InChIKeyZIUBVNQSPUJLSO-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-cyclopropylphenyl)pyrrolidine?
The IUPAC name of 1-(2-bromo-4-cyclopropylphenyl)pyrrolidine (CID 164662449) is 1-(2-bromo-4-cyclopropylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-bromo-4-cyclopropylphenyl)pyrrolidine?
The canonical SMILES for 1-(2-bromo-4-cyclopropylphenyl)pyrrolidine is Brc1cc(C2CC2)ccc1N1CCCC1.
What is the InChIKey of 1-(2-bromo-4-cyclopropylphenyl)pyrrolidine?
The InChIKey is ZIUBVNQSPUJLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-12-9-11(10-3-4-10)5-6-13(12)15-7-1-2-8-15/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 1-(2-bromo-4-cyclopropylphenyl)pyrrolidine?
1-(2-bromo-4-cyclopropylphenyl)pyrrolidine has a molecular weight of 266.18 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-cyclopropylphenyl)pyrrolidine is sourced from PubChem (CID 164662449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).