Pyrrolidine-2-carbaldehyde
CAS No.：
Cat. No.: SC24685
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Product Name :Pyrrolidine-2-carbaldehyde
Cat. No.: :SC24685
Purity / Specification :—
CAS No. :61480-98-6
MDL No. :MFCD01318698
Molecular Formula :C5H9NO
LogP :-0.20
Molecular Weight :99.13
TPSA :29.1
Category :Building Blocks
HSN Code :—
SMILES Code :O=CC1CCCN1
Melting Point :—
InChI Key : :JIDDDPVQQUHACU-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 99.1 Da
LogP ≤ 5✓ -0.20
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i46/100
Fragment / low drug-likeness
Predicted LogP
i-0.20log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 29.1Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.