1-(3-chlorophenyl)pyrrolidine

C10H12ClN — CID 14509632

IUPAC1-(3-chlorophenyl)pyrrolidine
SMILESClc1cccc(N2CCCC2)c1
InChIInChI=1S/C10H12ClN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKeySYYZESGQAICJGW-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.94
Rot. Bonds1

About 1-(3-chlorophenyl)pyrrolidine

1-(3-chlorophenyl)pyrrolidine (PubChem CID 14509632) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)pyrrolidine
PubChem CID14509632
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name1-(3-chlorophenyl)pyrrolidine
SMILESClc1cccc(N2CCCC2)c1
InChIInChI=1S/C10H12ClN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKeySYYZESGQAICJGW-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)pyrrolidine?
The IUPAC name of 1-(3-chlorophenyl)pyrrolidine (CID 14509632) is 1-(3-chlorophenyl)pyrrolidine.
What is the SMILES notation for 1-(3-chlorophenyl)pyrrolidine?
The canonical SMILES for 1-(3-chlorophenyl)pyrrolidine is Clc1cccc(N2CCCC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)pyrrolidine?
The InChIKey is SYYZESGQAICJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2.
What are the key properties of 1-(3-chlorophenyl)pyrrolidine?
1-(3-chlorophenyl)pyrrolidine has a molecular weight of 181.67 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)pyrrolidine is sourced from PubChem (CID 14509632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).