(3R,4S)-3-ethyl-4-phenylpyrrolidine

C12H17N — CID 124705784

IUPAC(3R,4S)-3-ethyl-4-phenylpyrrolidine
SMILESCC[C@H]1CNC[C@@H]1c1ccccc1
InChIInChI=1S/C12H17N/c1-2-10-8-13-9-12(10)11-6-4-3-5-7-11/h3-7,10,12-13H,2,8-9H2,1H3/t10-,12-/m0/s1
InChIKeyZNAMOQJGXJMLJK-JQWIXIFHSA-N
MW175.28 g/mol
LogP2.40
Rot. Bonds2

About (3R,4S)-3-ethyl-4-phenylpyrrolidine

(3R,4S)-3-ethyl-4-phenylpyrrolidine (PubChem CID 124705784) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-4-phenylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-4-phenylpyrrolidine
PubChem CID124705784
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(3R,4S)-3-ethyl-4-phenylpyrrolidine
SMILESCC[C@H]1CNC[C@@H]1c1ccccc1
InChIInChI=1S/C12H17N/c1-2-10-8-13-9-12(10)11-6-4-3-5-7-11/h3-7,10,12-13H,2,8-9H2,1H3/t10-,12-/m0/s1
InChIKeyZNAMOQJGXJMLJK-JQWIXIFHSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-4-phenylpyrrolidine?
The IUPAC name of (3R,4S)-3-ethyl-4-phenylpyrrolidine (CID 124705784) is (3R,4S)-3-ethyl-4-phenylpyrrolidine.
What is the SMILES notation for (3R,4S)-3-ethyl-4-phenylpyrrolidine?
The canonical SMILES for (3R,4S)-3-ethyl-4-phenylpyrrolidine is CC[C@H]1CNC[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-ethyl-4-phenylpyrrolidine?
The InChIKey is ZNAMOQJGXJMLJK-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H17N/c1-2-10-8-13-9-12(10)11-6-4-3-5-7-11/h3-7,10,12-13H,2,8-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of (3R,4S)-3-ethyl-4-phenylpyrrolidine?
(3R,4S)-3-ethyl-4-phenylpyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-4-phenylpyrrolidine is sourced from PubChem (CID 124705784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).