Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide

C₁₆H₃₀N₂OZn — CID 10520540

About Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide

Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (PubChem CID 10520540) has the molecular formula C₁₆H₃₀N₂OZn and a molecular weight of 331.82 g/mol. Its IUPAC name is zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.

Molecular Properties

• Compound Name: Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
• PubChem CID: 10520540
• Molecular Formula: C₁₆H₃₀N₂OZn
• Molecular Weight: 331.82 g/mol
• Exact Mass: 330.16
• IUPAC Name: zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide
• SMILES: COC[C@@H]1CCCN1[N-]C1=CCCCC1.[CH2-]CCC.[Zn+2]
• InChI: InChI=1S/C12H21N2O.C4H9.Zn/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11;1-3-4-2;/h6,12H,2-5,7-10H2,1H3;1,3-4H2,2H3;/q2*-1;+2/t12-;;/m0../s1
• InChIKey: XMZZTUQPULDSGD-LTCKWSDVSA-N
• XLogP: 4.46
• TPSA: 26.57 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.82
LogP ≤ 5	4.46
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;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?

The IUPAC name of Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide (CID 10520540) is zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide.

What is the SMILES notation for Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?

The canonical SMILES for Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is COC[C@@H]1CCCN1[N-]C1=CCCCC1.[CH2-]CCC.[Zn+2].

What is the InChIKey of Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?

The InChIKey is XMZZTUQPULDSGD-LTCKWSDVSA-N. The full InChI is InChI=1S/C12H21N2O.C4H9.Zn/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11;1-3-4-2;/h6,12H,2-5,7-10H2,1H3;1,3-4H2,2H3;/q2*-1;+2/t12-;;/m0../s1.

What are the key properties of Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide?

Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide has a molecular weight of 331.82 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Zinc;butane;cyclohexen-1-yl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]azanide is sourced from PubChem (CID 10520540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10520540 — identifiers, structure, computed properties (public domain)

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