Cytisine

C₁₁H₁₄N₂O — CID 10235

About Cytisine

Cytisine (PubChem CID 10235) has the molecular formula C₁₁H₁₄N₂O and a molecular weight of 190.25 g/mol. Its IUPAC name is (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: Cytisine
• PubChem CID: 10235
• Molecular Formula: C₁₁H₁₄N₂O
• Molecular Weight: 190.25 g/mol
• Exact Mass: 190.11
• IUPAC Name: (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
• InChI: InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
• InChIKey: ANJTVLIZGCUXLD-DTWKUNHWSA-N
• XLogP: 0.56
• TPSA: 34.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	190.25
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Cytisine?

The IUPAC name of Cytisine (CID 10235) is (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for Cytisine?

The canonical SMILES for Cytisine is O=c1cccc2n1C[C@@H]1CNC[C@H]2C1.

What is the InChIKey of Cytisine?

The InChIKey is ANJTVLIZGCUXLD-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1.

What are the key properties of Cytisine?

Cytisine has a molecular weight of 190.25 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Cytisine is sourced from PubChem (CID 10235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10235 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5217 — approved-drug record (CC BY-SA 4.0)

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