5-(4-chlorophenyl)-2,2-dimethylpyrrolidine

C12H16ClN — CID 117272277

IUPAC5-(4-chlorophenyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C12H16ClN/c1-12(2)8-7-11(14-12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeyGMDHOBPAJMAHRV-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.54
Rot. Bonds1

About 5-(4-chlorophenyl)-2,2-dimethylpyrrolidine

5-(4-chlorophenyl)-2,2-dimethylpyrrolidine (PubChem CID 117272277) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,2-dimethylpyrrolidine
PubChem CID117272277
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name5-(4-chlorophenyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C12H16ClN/c1-12(2)8-7-11(14-12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeyGMDHOBPAJMAHRV-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 5-(4-chlorophenyl)-2,2-dimethylpyrrolidine (CID 117272277) is 5-(4-chlorophenyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 5-(4-chlorophenyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 5-(4-chlorophenyl)-2,2-dimethylpyrrolidine is CC1(C)CCC(c2ccc(Cl)cc2)N1.
What is the InChIKey of 5-(4-chlorophenyl)-2,2-dimethylpyrrolidine?
The InChIKey is GMDHOBPAJMAHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-12(2)8-7-11(14-12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-2,2-dimethylpyrrolidine?
5-(4-chlorophenyl)-2,2-dimethylpyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 117272277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).