1,2-diphenylpyrrolidine;ethanol

C18H23NO — CID 67627522

IUPAC1,2-diphenylpyrrolidine;ethanol
SMILESCCO.c1ccc(C2CCCN2c2ccccc2)cc1
InChIInChI=1S/C16H17N.C2H6O/c1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15;1-2-3/h1-6,8-11,16H,7,12-13H2;3H,2H2,1H3
InChIKeyBCXHSSNCLUCYMF-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.03
Rot. Bonds2

About 1,2-diphenylpyrrolidine;ethanol

1,2-diphenylpyrrolidine;ethanol (PubChem CID 67627522) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1,2-diphenylpyrrolidine;ethanol.

Molecular Properties

Compound Name1,2-diphenylpyrrolidine;ethanol
PubChem CID67627522
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1,2-diphenylpyrrolidine;ethanol
SMILESCCO.c1ccc(C2CCCN2c2ccccc2)cc1
InChIInChI=1S/C16H17N.C2H6O/c1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15;1-2-3/h1-6,8-11,16H,7,12-13H2;3H,2H2,1H3
InChIKeyBCXHSSNCLUCYMF-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylpyrrolidine;ethanol?
The IUPAC name of 1,2-diphenylpyrrolidine;ethanol (CID 67627522) is 1,2-diphenylpyrrolidine;ethanol.
What is the SMILES notation for 1,2-diphenylpyrrolidine;ethanol?
The canonical SMILES for 1,2-diphenylpyrrolidine;ethanol is CCO.c1ccc(C2CCCN2c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenylpyrrolidine;ethanol?
The InChIKey is BCXHSSNCLUCYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.C2H6O/c1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15;1-2-3/h1-6,8-11,16H,7,12-13H2;3H,2H2,1H3.
What are the key properties of 1,2-diphenylpyrrolidine;ethanol?
1,2-diphenylpyrrolidine;ethanol has a molecular weight of 269.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylpyrrolidine;ethanol is sourced from PubChem (CID 67627522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).