2-(2-phenylpyrrolidin-2-yl)acetaldehyde

C12H15NO — CID 123138348

IUPAC2-(2-phenylpyrrolidin-2-yl)acetaldehyde
SMILESO=CCC1(c2ccccc2)CCCN1
InChIInChI=1S/C12H15NO/c14-10-8-12(7-4-9-13-12)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2
InChIKeyVOAIJLDWYTZCEF-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.85
Rot. Bonds3

About 2-(2-phenylpyrrolidin-2-yl)acetaldehyde

2-(2-phenylpyrrolidin-2-yl)acetaldehyde (PubChem CID 123138348) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(2-phenylpyrrolidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-phenylpyrrolidin-2-yl)acetaldehyde
PubChem CID123138348
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(2-phenylpyrrolidin-2-yl)acetaldehyde
SMILESO=CCC1(c2ccccc2)CCCN1
InChIInChI=1S/C12H15NO/c14-10-8-12(7-4-9-13-12)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2
InChIKeyVOAIJLDWYTZCEF-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenylpyrrolidin-2-yl)acetaldehyde?
The IUPAC name of 2-(2-phenylpyrrolidin-2-yl)acetaldehyde (CID 123138348) is 2-(2-phenylpyrrolidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-phenylpyrrolidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-phenylpyrrolidin-2-yl)acetaldehyde is O=CCC1(c2ccccc2)CCCN1.
What is the InChIKey of 2-(2-phenylpyrrolidin-2-yl)acetaldehyde?
The InChIKey is VOAIJLDWYTZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-10-8-12(7-4-9-13-12)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2.
What are the key properties of 2-(2-phenylpyrrolidin-2-yl)acetaldehyde?
2-(2-phenylpyrrolidin-2-yl)acetaldehyde has a molecular weight of 189.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpyrrolidin-2-yl)acetaldehyde is sourced from PubChem (CID 123138348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).