2,2-diphenylpyrrolidine-1-carbaldehyde

C17H17NO — CID 15783041

IUPAC2,2-diphenylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c19-14-18-13-7-12-17(18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2
InChIKeyMGNJWGBLLLIYMZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.18
Rot. Bonds3

About 2,2-diphenylpyrrolidine-1-carbaldehyde

2,2-diphenylpyrrolidine-1-carbaldehyde (PubChem CID 15783041) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,2-diphenylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2,2-diphenylpyrrolidine-1-carbaldehyde
PubChem CID15783041
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2,2-diphenylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c19-14-18-13-7-12-17(18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2
InChIKeyMGNJWGBLLLIYMZ-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylpyrrolidine-1-carbaldehyde?
The IUPAC name of 2,2-diphenylpyrrolidine-1-carbaldehyde (CID 15783041) is 2,2-diphenylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2,2-diphenylpyrrolidine-1-carbaldehyde?
The canonical SMILES for 2,2-diphenylpyrrolidine-1-carbaldehyde is O=CN1CCCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylpyrrolidine-1-carbaldehyde?
The InChIKey is MGNJWGBLLLIYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-14-18-13-7-12-17(18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2.
What are the key properties of 2,2-diphenylpyrrolidine-1-carbaldehyde?
2,2-diphenylpyrrolidine-1-carbaldehyde has a molecular weight of 251.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 15783041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).