1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol

C₁₀H₁₉N₃O — CID 134406296

About 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol

1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol (PubChem CID 134406296) has the molecular formula C₁₀H₁₉N₃O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol
• PubChem CID: 134406296
• Molecular Formula: C₁₀H₁₉N₃O
• Molecular Weight: 197.28 g/mol
• Exact Mass: 197.15
• IUPAC Name: 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol
• SMILES: C/C(N)=C/C=CC(N)N1CCC(O)C1
• InChI: InChI=1S/C10H19N3O/c1-8(11)3-2-4-10(12)13-6-5-9(14)7-13/h2-4,9-10,14H,5-7,11-12H2,1H3/b4-2?,8-3-
• InChIKey: LEVBTVQWUSAZNN-ZGVMDFCPSA-N
• XLogP: -0.24
• TPSA: 75.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	197.28
LogP ≤ 5	-0.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol?

The IUPAC name of 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol (CID 134406296) is 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol.

What is the SMILES notation for 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol?

The canonical SMILES for 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol is C/C(N)=C/C=CC(N)N1CCC(O)C1.

What is the InChIKey of 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol?

The InChIKey is LEVBTVQWUSAZNN-ZGVMDFCPSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(11)3-2-4-10(12)13-6-5-9(14)7-13/h2-4,9-10,14H,5-7,11-12H2,1H3/b4-2?,8-3-.

What are the key properties of 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol?

1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol has a molecular weight of 197.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol is sourced from PubChem (CID 134406296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134406296 — identifiers, structure, computed properties (public domain)

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