(2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine

C19H19Cl2N — CID 18632069

IUPAC(2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
SMILESCN1CC[C@H](c2ccccc2)[C@H]1/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N/c1-22-12-11-17(14-5-3-2-4-6-14)19(22)10-8-15-7-9-16(20)13-18(15)21/h2-10,13,17,19H,11-12H2,1H3/b10-8+/t17-,19-/m1/s1
InChIKeyVLMQYGKEMHMJJK-FDGXHLLTSA-N
MW332.27 g/mol
LogP5.49
Rot. Bonds3

About (2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine

(2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine (PubChem CID 18632069) has the molecular formula C19H19Cl2N and a molecular weight of 332.27 g/mol. Its IUPAC name is (2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
PubChem CID18632069
Molecular FormulaC19H19Cl2N
Molecular Weight332.27 g/mol
Exact Mass331.09
IUPAC Name(2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
SMILESCN1CC[C@H](c2ccccc2)[C@H]1/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N/c1-22-12-11-17(14-5-3-2-4-6-14)19(22)10-8-15-7-9-16(20)13-18(15)21/h2-10,13,17,19H,11-12H2,1H3/b10-8+/t17-,19-/m1/s1
InChIKeyVLMQYGKEMHMJJK-FDGXHLLTSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.27
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The IUPAC name of (2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine (CID 18632069) is (2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine.
What is the SMILES notation for (2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The canonical SMILES for (2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine is CN1CC[C@H](c2ccccc2)[C@H]1/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The InChIKey is VLMQYGKEMHMJJK-FDGXHLLTSA-N. The full InChI is InChI=1S/C19H19Cl2N/c1-22-12-11-17(14-5-3-2-4-6-14)19(22)10-8-15-7-9-16(20)13-18(15)21/h2-10,13,17,19H,11-12H2,1H3/b10-8+/t17-,19-/m1/s1.
What are the key properties of (2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
(2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine has a molecular weight of 332.27 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine is sourced from PubChem (CID 18632069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).