(2S)-1-methyl-2-phenylpyrrolidine

C11H15N — CID 12625600

IUPAC(2S)-1-methyl-2-phenylpyrrolidine
SMILESCN1CCC[C@H]1c1ccccc1
InChIInChI=1S/C11H15N/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3/t11-/m0/s1
InChIKeyRUJFIXHHAWJMRM-NSHDSACASA-N
MW161.25 g/mol
LogP2.45
Rot. Bonds1

About (2S)-1-methyl-2-phenylpyrrolidine

(2S)-1-methyl-2-phenylpyrrolidine (PubChem CID 12625600) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2S)-1-methyl-2-phenylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-phenylpyrrolidine
PubChem CID12625600
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2S)-1-methyl-2-phenylpyrrolidine
SMILESCN1CCC[C@H]1c1ccccc1
InChIInChI=1S/C11H15N/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3/t11-/m0/s1
InChIKeyRUJFIXHHAWJMRM-NSHDSACASA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-phenylpyrrolidine?
The IUPAC name of (2S)-1-methyl-2-phenylpyrrolidine (CID 12625600) is (2S)-1-methyl-2-phenylpyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-phenylpyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-phenylpyrrolidine is CN1CCC[C@H]1c1ccccc1.
What is the InChIKey of (2S)-1-methyl-2-phenylpyrrolidine?
The InChIKey is RUJFIXHHAWJMRM-NSHDSACASA-N. The full InChI is InChI=1S/C11H15N/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-methyl-2-phenylpyrrolidine?
(2S)-1-methyl-2-phenylpyrrolidine has a molecular weight of 161.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-phenylpyrrolidine is sourced from PubChem (CID 12625600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).