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

C₁₃H₂₅ClN₂OZn — CID 10806021

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

Chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (PubChem CID 10806021) has the molecular formula C₁₃H₂₅ClN₂OZn and a molecular weight of 326.20 g/mol. Its IUPAC name is chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.

Molecular Properties

• Compound Name: Chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
• PubChem CID: 10806021
• Molecular Formula: C₁₃H₂₅ClN₂OZn
• Molecular Weight: 326.20 g/mol
• Exact Mass: 324.09
• IUPAC Name: chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
• SMILES: CC/C=C(\CCC)[N-]N1CCC[C@H]1COC.Cl[Zn+]
• InChI: InChI=1S/C13H25N2O.ClH.Zn/c1-4-7-12(8-5-2)14-15-10-6-9-13(15)11-16-3;;/h7,13H,4-6,8-11H2,1-3H3;1H;/q-1;;+2/p-1/b12-7+;;/t13-;;/m0../s1
• InChIKey: ADNUJJDTCQJQGU-VDHJBGAKSA-M
• XLogP: 4.17
• TPSA: 26.57 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.20
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of Chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (CID 10806021) is chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.

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

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

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

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

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

Chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide has a molecular weight of 326.20 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Chlorozinc(1+);[(E)-hept-3-en-4-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is sourced from PubChem (CID 10806021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10806021 — identifiers, structure, computed properties (public domain)

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