Bupropion

C₁₃H₁₈ClNO — CID 444

About Bupropion

Bupropion (PubChem CID 444) has the molecular formula C₁₃H₁₈ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one.

Molecular Properties

• Compound Name: Bupropion
• PubChem CID: 444
• Molecular Formula: C₁₃H₁₈ClNO
• Molecular Weight: 239.75 g/mol
• Exact Mass: 239.11
• IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one
• SMILES: CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
• InChI: InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
• InChIKey: SNPPWIUOZRMYNY-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.75
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Bupropion?

The IUPAC name of Bupropion (CID 444) is 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one.

What is the SMILES notation for Bupropion?

The canonical SMILES for Bupropion is CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.

What is the InChIKey of Bupropion?

The InChIKey is SNPPWIUOZRMYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3.

What are the key properties of Bupropion?

Bupropion has a molecular weight of 239.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Bupropion is sourced from PubChem (CID 444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 444 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 435 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.