(4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide

C11H14BrIN2 — CID 75481638

IUPAC(4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide
SMILESI.[H]/N=C(/c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C11H13BrN2.HI/c12-10-5-3-9(4-6-10)11(13)14-7-1-2-8-14;/h3-6,13H,1-2,7-8H2;1H/b13-11-;
InChIKeyFFNGPEDQRLXWTO-KEHAOADBSA-N
MW381.06 g/mol
LogP3.49
Rot. Bonds1

About (4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide

(4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide (PubChem CID 75481638) has the molecular formula C11H14BrIN2 and a molecular weight of 381.06 g/mol. Its IUPAC name is (4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide.

Molecular Properties

Compound Name(4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide
PubChem CID75481638
Molecular FormulaC11H14BrIN2
Molecular Weight381.06 g/mol
Exact Mass379.94
IUPAC Name(4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide
SMILESI.[H]/N=C(/c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C11H13BrN2.HI/c12-10-5-3-9(4-6-10)11(13)14-7-1-2-8-14;/h3-6,13H,1-2,7-8H2;1H/b13-11-;
InChIKeyFFNGPEDQRLXWTO-KEHAOADBSA-N
XLogP3.49
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.06
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide?
The IUPAC name of (4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide (CID 75481638) is (4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide.
What is the SMILES notation for (4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide?
The canonical SMILES for (4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide is I.[H]/N=C(/c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of (4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide?
The InChIKey is FFNGPEDQRLXWTO-KEHAOADBSA-N. The full InChI is InChI=1S/C11H13BrN2.HI/c12-10-5-3-9(4-6-10)11(13)14-7-1-2-8-14;/h3-6,13H,1-2,7-8H2;1H/b13-11-;.
What are the key properties of (4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide?
(4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide has a molecular weight of 381.06 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-pyrrolidin-1-ylmethanimine;hydroiodide is sourced from PubChem (CID 75481638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).