(5R)-2-(4-bromophenyl)-5-methylpyrrolidine

C11H14BrN — CID 162399652

IUPAC(5R)-2-(4-bromophenyl)-5-methylpyrrolidine
SMILESC[C@@H]1CCC(c2ccc(Br)cc2)N1
InChIInChI=1S/C11H14BrN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8,11,13H,2,7H2,1H3/t8-,11?/m1/s1
InChIKeyKYSALZDULNHZCI-RZZZFEHKSA-N
MW240.14 g/mol
LogP3.26
Rot. Bonds1

About (5R)-2-(4-bromophenyl)-5-methylpyrrolidine

(5R)-2-(4-bromophenyl)-5-methylpyrrolidine (PubChem CID 162399652) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (5R)-2-(4-bromophenyl)-5-methylpyrrolidine.

Molecular Properties

Compound Name(5R)-2-(4-bromophenyl)-5-methylpyrrolidine
PubChem CID162399652
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(5R)-2-(4-bromophenyl)-5-methylpyrrolidine
SMILESC[C@@H]1CCC(c2ccc(Br)cc2)N1
InChIInChI=1S/C11H14BrN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8,11,13H,2,7H2,1H3/t8-,11?/m1/s1
InChIKeyKYSALZDULNHZCI-RZZZFEHKSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-bromophenyl)-5-methylpyrrolidine?
The IUPAC name of (5R)-2-(4-bromophenyl)-5-methylpyrrolidine (CID 162399652) is (5R)-2-(4-bromophenyl)-5-methylpyrrolidine.
What is the SMILES notation for (5R)-2-(4-bromophenyl)-5-methylpyrrolidine?
The canonical SMILES for (5R)-2-(4-bromophenyl)-5-methylpyrrolidine is C[C@@H]1CCC(c2ccc(Br)cc2)N1.
What is the InChIKey of (5R)-2-(4-bromophenyl)-5-methylpyrrolidine?
The InChIKey is KYSALZDULNHZCI-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8,11,13H,2,7H2,1H3/t8-,11?/m1/s1.
What are the key properties of (5R)-2-(4-bromophenyl)-5-methylpyrrolidine?
(5R)-2-(4-bromophenyl)-5-methylpyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-bromophenyl)-5-methylpyrrolidine is sourced from PubChem (CID 162399652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).