(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride

C10H13Cl2N — CID 71742220

IUPAC(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
SMILESCl.Clc1ccc([C@@H]2CCNC2)cc1
InChIInChI=1S/C10H12ClN.ClH/c11-10-3-1-8(2-4-10)9-5-6-12-7-9;/h1-4,9,12H,5-7H2;1H/t9-;/m1./s1
InChIKeyMEAVTYCYERGNQH-SBSPUUFOSA-N
MW218.13 g/mol
LogP2.84
Rot. Bonds1

About (3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride

(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride (PubChem CID 71742220) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
PubChem CID71742220
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
SMILESCl.Clc1ccc([C@@H]2CCNC2)cc1
InChIInChI=1S/C10H12ClN.ClH/c11-10-3-1-8(2-4-10)9-5-6-12-7-9;/h1-4,9,12H,5-7H2;1H/t9-;/m1./s1
InChIKeyMEAVTYCYERGNQH-SBSPUUFOSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of (3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride (CID 71742220) is (3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride is Cl.Clc1ccc([C@@H]2CCNC2)cc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride?
The InChIKey is MEAVTYCYERGNQH-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12ClN.ClH/c11-10-3-1-8(2-4-10)9-5-6-12-7-9;/h1-4,9,12H,5-7H2;1H/t9-;/m1./s1.
What are the key properties of (3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride?
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride has a molecular weight of 218.13 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 71742220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).