(2R,5R)-2-benzyl-5-methylpyrrolidine

C12H17N — CID 57205261

IUPAC(2R,5R)-2-benzyl-5-methylpyrrolidine
SMILESC[C@@H]1CC[C@H](Cc2ccccc2)N1
InChIInChI=1S/C12H17N/c1-10-7-8-12(13-10)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyBPANJDZCBSVJFK-ZYHUDNBSSA-N
MW175.28 g/mol
LogP2.37
Rot. Bonds2

About (2R,5R)-2-benzyl-5-methylpyrrolidine

(2R,5R)-2-benzyl-5-methylpyrrolidine (PubChem CID 57205261) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (2R,5R)-2-benzyl-5-methylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-2-benzyl-5-methylpyrrolidine
PubChem CID57205261
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(2R,5R)-2-benzyl-5-methylpyrrolidine
SMILESC[C@@H]1CC[C@H](Cc2ccccc2)N1
InChIInChI=1S/C12H17N/c1-10-7-8-12(13-10)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyBPANJDZCBSVJFK-ZYHUDNBSSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-benzyl-5-methylpyrrolidine?
The IUPAC name of (2R,5R)-2-benzyl-5-methylpyrrolidine (CID 57205261) is (2R,5R)-2-benzyl-5-methylpyrrolidine.
What is the SMILES notation for (2R,5R)-2-benzyl-5-methylpyrrolidine?
The canonical SMILES for (2R,5R)-2-benzyl-5-methylpyrrolidine is C[C@@H]1CC[C@H](Cc2ccccc2)N1.
What is the InChIKey of (2R,5R)-2-benzyl-5-methylpyrrolidine?
The InChIKey is BPANJDZCBSVJFK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H17N/c1-10-7-8-12(13-10)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (2R,5R)-2-benzyl-5-methylpyrrolidine?
(2R,5R)-2-benzyl-5-methylpyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-benzyl-5-methylpyrrolidine is sourced from PubChem (CID 57205261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).