(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine

C13H19N — CID 11137917

IUPAC(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine
SMILESC[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1
InChIInChI=1S/C13H19N/c1-10-9-12(13(2,3)14-10)11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3/t10-,12-/m1/s1
InChIKeyFVDMLCGIOKMSRT-ZYHUDNBSSA-N
MW189.30 g/mol
LogP2.93
Rot. Bonds1

About (3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine

(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine (PubChem CID 11137917) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine
PubChem CID11137917
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine
SMILESC[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1
InChIInChI=1S/C13H19N/c1-10-9-12(13(2,3)14-10)11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3/t10-,12-/m1/s1
InChIKeyFVDMLCGIOKMSRT-ZYHUDNBSSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine?
The IUPAC name of (3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine (CID 11137917) is (3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine.
What is the SMILES notation for (3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine?
The canonical SMILES for (3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine is C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1.
What is the InChIKey of (3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine?
The InChIKey is FVDMLCGIOKMSRT-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H19N/c1-10-9-12(13(2,3)14-10)11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3/t10-,12-/m1/s1.
What are the key properties of (3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine?
(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine is sourced from PubChem (CID 11137917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).