Dinoprostone

C₂₀H₃₂O₅ — CID 5280360

About Dinoprostone

Dinoprostone (PubChem CID 5280360) has the molecular formula C₂₀H₃₂O₅ and a molecular weight of 352.47 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid.

Molecular Properties

• Compound Name: Dinoprostone
• PubChem CID: 5280360
• Molecular Formula: C₂₀H₃₂O₅
• Molecular Weight: 352.47 g/mol
• Exact Mass: 352.22
• IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
• SMILES: CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
• InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
• InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N
• XLogP: 3.25
• TPSA: 94.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.47
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Dinoprostone?

The IUPAC name of Dinoprostone (CID 5280360) is (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid.

What is the SMILES notation for Dinoprostone?

The canonical SMILES for Dinoprostone is CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O.

What is the InChIKey of Dinoprostone?

The InChIKey is XEYBRNLFEZDVAW-ARSRFYASSA-N. The full InChI is InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1.

What are the key properties of Dinoprostone?

Dinoprostone has a molecular weight of 352.47 g/mol, XLogP of 3.25, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Dinoprostone is sourced from PubChem (CID 5280360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5280360 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 913 — approved-drug record (CC BY-SA 4.0)

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