(5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine

C12H16BrN — CID 164675605

IUPAC(5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CC[C@H](c2ccc(Br)cc2)N1
InChIInChI=1S/C12H16BrN/c1-12(2)8-7-11(14-12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyKVECMPWJTBVWPE-LLVKDONJSA-N
MW254.17 g/mol
LogP3.65
Rot. Bonds1

About (5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine

(5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine (PubChem CID 164675605) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine
PubChem CID164675605
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name(5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CC[C@H](c2ccc(Br)cc2)N1
InChIInChI=1S/C12H16BrN/c1-12(2)8-7-11(14-12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyKVECMPWJTBVWPE-LLVKDONJSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine?
The IUPAC name of (5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine (CID 164675605) is (5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for (5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine is CC1(C)CC[C@H](c2ccc(Br)cc2)N1.
What is the InChIKey of (5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine?
The InChIKey is KVECMPWJTBVWPE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16BrN/c1-12(2)8-7-11(14-12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine?
(5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine has a molecular weight of 254.17 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 164675605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).