2-ethyl-3-phenylpyrrolidine

C12H17N — CID 62354556

IUPAC2-ethyl-3-phenylpyrrolidine
SMILESCCC1NCCC1c1ccccc1
InChIInChI=1S/C12H17N/c1-2-12-11(8-9-13-12)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3
InChIKeyXEMCPHRCVBBXRF-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.54
Rot. Bonds2

About 2-ethyl-3-phenylpyrrolidine

2-ethyl-3-phenylpyrrolidine (PubChem CID 62354556) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-ethyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-3-phenylpyrrolidine
PubChem CID62354556
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-ethyl-3-phenylpyrrolidine
SMILESCCC1NCCC1c1ccccc1
InChIInChI=1S/C12H17N/c1-2-12-11(8-9-13-12)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3
InChIKeyXEMCPHRCVBBXRF-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-phenylpyrrolidine?
The IUPAC name of 2-ethyl-3-phenylpyrrolidine (CID 62354556) is 2-ethyl-3-phenylpyrrolidine.
What is the SMILES notation for 2-ethyl-3-phenylpyrrolidine?
The canonical SMILES for 2-ethyl-3-phenylpyrrolidine is CCC1NCCC1c1ccccc1.
What is the InChIKey of 2-ethyl-3-phenylpyrrolidine?
The InChIKey is XEMCPHRCVBBXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-12-11(8-9-13-12)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3.
What are the key properties of 2-ethyl-3-phenylpyrrolidine?
2-ethyl-3-phenylpyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-phenylpyrrolidine is sourced from PubChem (CID 62354556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).