Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide

C₁₇H₃₄N₂OZn — CID 10521635

About Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide

Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (PubChem CID 10521635) has the molecular formula C₁₇H₃₄N₂OZn and a molecular weight of 347.86 g/mol. Its IUPAC name is zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.

Molecular Properties

• Compound Name: Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
• PubChem CID: 10521635
• Molecular Formula: C₁₇H₃₄N₂OZn
• Molecular Weight: 347.86 g/mol
• Exact Mass: 346.20
• IUPAC Name: zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
• SMILES: CC/C=C(\CCC)[N-]N1CCC[C@H]1COC.[CH2-]CCC.[Zn+2]
• InChI: InChI=1S/C13H25N2O.C4H9.Zn/c1-4-7-12(8-5-2)14-15-10-6-9-13(15)11-16-3;1-3-4-2;/h7,13H,4-6,8-11H2,1-3H3;1,3-4H2,2H3;/q2*-1;+2/b12-7+;;/t13-;;/m0../s1
• InChIKey: TYQAMNNEIMDLST-VDHJBGAKSA-N
• XLogP: 5.10
• TPSA: 26.57 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	347.86
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?

The IUPAC name of Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (CID 10521635) is zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.

What is the SMILES notation for Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?

The canonical SMILES for Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is CC/C=C(\CCC)[N-]N1CCC[C@H]1COC.[CH2-]CCC.[Zn+2].

What is the InChIKey of Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?

The InChIKey is TYQAMNNEIMDLST-VDHJBGAKSA-N. The full InChI is InChI=1S/C13H25N2O.C4H9.Zn/c1-4-7-12(8-5-2)14-15-10-6-9-13(15)11-16-3;1-3-4-2;/h7,13H,4-6,8-11H2,1-3H3;1,3-4H2,2H3;/q2*-1;+2/b12-7+;;/t13-;;/m0../s1.

What are the key properties of Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?

Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide has a molecular weight of 347.86 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Zinc;butane;[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is sourced from PubChem (CID 10521635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10521635 — identifiers, structure, computed properties (public domain)

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