(Z)-2,5-diiodopent-3-enenitrile

C5H5I2N — CID 130235111

IUPAC(Z)-2,5-diiodopent-3-enenitrile
SMILESN#CC(I)/C=C\CI
InChIInChI=1S/C5H5I2N/c6-3-1-2-5(7)4-8/h1-2,5H,3H2/b2-1-
InChIKeyOWHARBVFQYZBPY-UPHRSURJSA-N
MW332.91 g/mol
LogP2.30
Rot. Bonds2

About (Z)-2,5-diiodopent-3-enenitrile

(Z)-2,5-diiodopent-3-enenitrile (PubChem CID 130235111) has the molecular formula C5H5I2N and a molecular weight of 332.91 g/mol. Its IUPAC name is (Z)-2,5-diiodopent-3-enenitrile.

Molecular Properties

Compound Name(Z)-2,5-diiodopent-3-enenitrile
PubChem CID130235111
Molecular FormulaC5H5I2N
Molecular Weight332.91 g/mol
Exact Mass332.85
IUPAC Name(Z)-2,5-diiodopent-3-enenitrile
SMILESN#CC(I)/C=C\CI
InChIInChI=1S/C5H5I2N/c6-3-1-2-5(7)4-8/h1-2,5H,3H2/b2-1-
InChIKeyOWHARBVFQYZBPY-UPHRSURJSA-N
XLogP2.30
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.91
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 130235112
CID 130235112
CID 154540770
CID 154540770
CID 71340812
CID 71340812
CID 71340813
CID 71340813

Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-diiodopent-3-enenitrile?
The IUPAC name of (Z)-2,5-diiodopent-3-enenitrile (CID 130235111) is (Z)-2,5-diiodopent-3-enenitrile.
What is the SMILES notation for (Z)-2,5-diiodopent-3-enenitrile?
The canonical SMILES for (Z)-2,5-diiodopent-3-enenitrile is N#CC(I)/C=C\CI.
What is the InChIKey of (Z)-2,5-diiodopent-3-enenitrile?
The InChIKey is OWHARBVFQYZBPY-UPHRSURJSA-N. The full InChI is InChI=1S/C5H5I2N/c6-3-1-2-5(7)4-8/h1-2,5H,3H2/b2-1-.
What are the key properties of (Z)-2,5-diiodopent-3-enenitrile?
(Z)-2,5-diiodopent-3-enenitrile has a molecular weight of 332.91 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-diiodopent-3-enenitrile is sourced from PubChem (CID 130235111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).