(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde

C13H17NO — CID 89344949

IUPAC(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCN1CCc1ccccc1
InChIInChI=1S/C13H17NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m0/s1
InChIKeyAMYSEPHGWJAKIQ-ZDUSSCGKSA-N
MW203.29 g/mol
LogP1.89
Rot. Bonds4

About (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde

(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde (PubChem CID 89344949) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde
PubChem CID89344949
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCN1CCc1ccccc1
InChIInChI=1S/C13H17NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m0/s1
InChIKeyAMYSEPHGWJAKIQ-ZDUSSCGKSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-pyridin-4-ylethyl)piperidine-2-carbaldehyde
CID 62656422
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
CID 62656596
1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde
CID 62654968
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62273352
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde (CID 89344949) is (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde is O=C[C@@H]1CCCN1CCc1ccccc1.
What is the InChIKey of (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde?
The InChIKey is AMYSEPHGWJAKIQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m0/s1.
What are the key properties of (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde?
(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde has a molecular weight of 203.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 89344949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).