iodozinc(1+);1-(phenylmethyl)pyrrolidine

C11H14INZn — CID 24722639

IUPACiodozinc(1+);1-(phenylmethyl)pyrrolidine
SMILES[Zn+]I.[c-]1ccccc1CN1CCCC1
InChIInChI=1S/C11H14N.HI.Zn/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;;/h1-3,6H,4-5,8-10H2;1H;/q-1;;+2/p-1
InChIKeyKASYUTOIYYNQHA-UHFFFAOYSA-M
MW352.53 g/mol
LogP2.97
Rot. Bonds2

About iodozinc(1+);1-(phenylmethyl)pyrrolidine

iodozinc(1+);1-(phenylmethyl)pyrrolidine (PubChem CID 24722639) has the molecular formula C11H14INZn and a molecular weight of 352.53 g/mol. Its IUPAC name is iodozinc(1+);1-(phenylmethyl)pyrrolidine.

Molecular Properties

Compound Nameiodozinc(1+);1-(phenylmethyl)pyrrolidine
PubChem CID24722639
Molecular FormulaC11H14INZn
Molecular Weight352.53 g/mol
Exact Mass350.95
IUPAC Nameiodozinc(1+);1-(phenylmethyl)pyrrolidine
SMILES[Zn+]I.[c-]1ccccc1CN1CCCC1
InChIInChI=1S/C11H14N.HI.Zn/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;;/h1-3,6H,4-5,8-10H2;1H;/q-1;;+2/p-1
InChIKeyKASYUTOIYYNQHA-UHFFFAOYSA-M
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodozinc(1+);1-(phenylmethyl)pyrrolidine?
The IUPAC name of iodozinc(1+);1-(phenylmethyl)pyrrolidine (CID 24722639) is iodozinc(1+);1-(phenylmethyl)pyrrolidine.
What is the SMILES notation for iodozinc(1+);1-(phenylmethyl)pyrrolidine?
The canonical SMILES for iodozinc(1+);1-(phenylmethyl)pyrrolidine is [Zn+]I.[c-]1ccccc1CN1CCCC1.
What is the InChIKey of iodozinc(1+);1-(phenylmethyl)pyrrolidine?
The InChIKey is KASYUTOIYYNQHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N.HI.Zn/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;;/h1-3,6H,4-5,8-10H2;1H;/q-1;;+2/p-1.
What are the key properties of iodozinc(1+);1-(phenylmethyl)pyrrolidine?
iodozinc(1+);1-(phenylmethyl)pyrrolidine has a molecular weight of 352.53 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodozinc(1+);1-(phenylmethyl)pyrrolidine is sourced from PubChem (CID 24722639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).