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

C6H7I2N — CID 130235112

IUPAC(Z)-2,5-diiodohex-3-enenitrile
SMILESCC(I)/C=C\C(I)C#N
InChIInChI=1S/C6H7I2N/c1-5(7)2-3-6(8)4-9/h2-3,5-6H,1H3/b3-2-
InChIKeyUFTDGMDTPXRDPT-IHWYPQMZSA-N
MW346.94 g/mol
LogP2.69
Rot. Bonds2

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

(Z)-2,5-diiodohex-3-enenitrile (PubChem CID 130235112) has the molecular formula C6H7I2N and a molecular weight of 346.94 g/mol. Its IUPAC name is (Z)-2,5-diiodohex-3-enenitrile.

Molecular Properties

Compound Name(Z)-2,5-diiodohex-3-enenitrile
PubChem CID130235112
Molecular FormulaC6H7I2N
Molecular Weight346.94 g/mol
Exact Mass346.87
IUPAC Name(Z)-2,5-diiodohex-3-enenitrile
SMILESCC(I)/C=C\C(I)C#N
InChIInChI=1S/C6H7I2N/c1-5(7)2-3-6(8)4-9/h2-3,5-6H,1H3/b3-2-
InChIKeyUFTDGMDTPXRDPT-IHWYPQMZSA-N
XLogP2.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.94
LogP ≤ 52.69
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

trans-3-Pentenenitrile
CID 5324707
3-Pentenenitrile
CID 20750
3-Pentenenitrile, (3Z)-
CID 12468300
(Z)-2,5-diiodopent-3-enenitrile
CID 130235111
Iodo(prop-1-en-1-yl)propanedinitrile
CID 71340812
(But-1-en-1-yl)(iodo)propanedinitrile
CID 71340813

Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-diiodohex-3-enenitrile?
The IUPAC name of (Z)-2,5-diiodohex-3-enenitrile (CID 130235112) is (Z)-2,5-diiodohex-3-enenitrile.
What is the SMILES notation for (Z)-2,5-diiodohex-3-enenitrile?
The canonical SMILES for (Z)-2,5-diiodohex-3-enenitrile is CC(I)/C=C\C(I)C#N.
What is the InChIKey of (Z)-2,5-diiodohex-3-enenitrile?
The InChIKey is UFTDGMDTPXRDPT-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H7I2N/c1-5(7)2-3-6(8)4-9/h2-3,5-6H,1H3/b3-2-.
What are the key properties of (Z)-2,5-diiodohex-3-enenitrile?
(Z)-2,5-diiodohex-3-enenitrile has a molecular weight of 346.94 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-diiodohex-3-enenitrile is sourced from PubChem (CID 130235112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).