(3S)-1-cyclopentyl-3-phenylpyrrolidine

C15H21N — CID 97327940

IUPAC(3S)-1-cyclopentyl-3-phenylpyrrolidine
SMILESc1ccc([C@@H]2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C15H21N/c1-2-6-13(7-3-1)14-10-11-16(12-14)15-8-4-5-9-15/h1-3,6-7,14-15H,4-5,8-12H2/t14-/m1/s1
InChIKeyNTDFGFPSZBYBBL-CQSZACIVSA-N
MW215.34 g/mol
LogP3.42
Rot. Bonds2

About (3S)-1-cyclopentyl-3-phenylpyrrolidine

(3S)-1-cyclopentyl-3-phenylpyrrolidine (PubChem CID 97327940) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-3-phenylpyrrolidine
PubChem CID97327940
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(3S)-1-cyclopentyl-3-phenylpyrrolidine
SMILESc1ccc([C@@H]2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C15H21N/c1-2-6-13(7-3-1)14-10-11-16(12-14)15-8-4-5-9-15/h1-3,6-7,14-15H,4-5,8-12H2/t14-/m1/s1
InChIKeyNTDFGFPSZBYBBL-CQSZACIVSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-3-phenylpyrrolidine?
The IUPAC name of (3S)-1-cyclopentyl-3-phenylpyrrolidine (CID 97327940) is (3S)-1-cyclopentyl-3-phenylpyrrolidine.
What is the SMILES notation for (3S)-1-cyclopentyl-3-phenylpyrrolidine?
The canonical SMILES for (3S)-1-cyclopentyl-3-phenylpyrrolidine is c1ccc([C@@H]2CCN(C3CCCC3)C2)cc1.
What is the InChIKey of (3S)-1-cyclopentyl-3-phenylpyrrolidine?
The InChIKey is NTDFGFPSZBYBBL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N/c1-2-6-13(7-3-1)14-10-11-16(12-14)15-8-4-5-9-15/h1-3,6-7,14-15H,4-5,8-12H2/t14-/m1/s1.
What are the key properties of (3S)-1-cyclopentyl-3-phenylpyrrolidine?
(3S)-1-cyclopentyl-3-phenylpyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-3-phenylpyrrolidine is sourced from PubChem (CID 97327940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).