1-(4-chlorophenyl)-2-methylpyrrolidine

C11H14ClN — CID 67847913

IUPAC1-(4-chlorophenyl)-2-methylpyrrolidine
SMILESCC1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN/c1-9-3-2-8-13(9)11-6-4-10(12)5-7-11/h4-7,9H,2-3,8H2,1H3
InChIKeyCWQXWIMWSOMCHT-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.33
Rot. Bonds1

About 1-(4-chlorophenyl)-2-methylpyrrolidine

1-(4-chlorophenyl)-2-methylpyrrolidine (PubChem CID 67847913) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methylpyrrolidine
PubChem CID67847913
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-(4-chlorophenyl)-2-methylpyrrolidine
SMILESCC1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN/c1-9-3-2-8-13(9)11-6-4-10(12)5-7-11/h4-7,9H,2-3,8H2,1H3
InChIKeyCWQXWIMWSOMCHT-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methylpyrrolidine?
The IUPAC name of 1-(4-chlorophenyl)-2-methylpyrrolidine (CID 67847913) is 1-(4-chlorophenyl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methylpyrrolidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methylpyrrolidine is CC1CCCN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methylpyrrolidine?
The InChIKey is CWQXWIMWSOMCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-9-3-2-8-13(9)11-6-4-10(12)5-7-11/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-methylpyrrolidine?
1-(4-chlorophenyl)-2-methylpyrrolidine has a molecular weight of 195.69 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methylpyrrolidine is sourced from PubChem (CID 67847913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).