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

C19H20ClN — CID 18632070

IUPAC(2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
SMILESCN1CC[C@H](c2ccccc2)[C@H]1/C=C/c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN/c1-21-13-12-18(16-7-3-2-4-8-16)19(21)11-10-15-6-5-9-17(20)14-15/h2-11,14,18-19H,12-13H2,1H3/b11-10+/t18-,19-/m1/s1
InChIKeyWMHHJFOUNMAHKS-MMKWGKFASA-N
MW297.83 g/mol
LogP4.84
Rot. Bonds3

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

(2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine (PubChem CID 18632070) has the molecular formula C19H20ClN and a molecular weight of 297.83 g/mol. Its IUPAC name is (2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
PubChem CID18632070
Molecular FormulaC19H20ClN
Molecular Weight297.83 g/mol
Exact Mass297.13
IUPAC Name(2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
SMILESCN1CC[C@H](c2ccccc2)[C@H]1/C=C/c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN/c1-21-13-12-18(16-7-3-2-4-8-16)19(21)11-10-15-6-5-9-17(20)14-15/h2-11,14,18-19H,12-13H2,1H3/b11-10+/t18-,19-/m1/s1
InChIKeyWMHHJFOUNMAHKS-MMKWGKFASA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.84
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-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The IUPAC name of (2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine (CID 18632070) is (2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine.
What is the SMILES notation for (2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The canonical SMILES for (2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine is CN1CC[C@H](c2ccccc2)[C@H]1/C=C/c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The InChIKey is WMHHJFOUNMAHKS-MMKWGKFASA-N. The full InChI is InChI=1S/C19H20ClN/c1-21-13-12-18(16-7-3-2-4-8-16)19(21)11-10-15-6-5-9-17(20)14-15/h2-11,14,18-19H,12-13H2,1H3/b11-10+/t18-,19-/m1/s1.
What are the key properties of (2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
(2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine has a molecular weight of 297.83 g/mol, XLogP of 4.84, 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-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine is sourced from PubChem (CID 18632070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).