(Z)-3-cyanoprop-2-enoyl iodide

C4H2INO — CID 122607560

IUPAC(Z)-3-cyanoprop-2-enoyl iodide
SMILESN#C/C=C\C(=O)I
InChIInChI=1S/C4H2INO/c5-4(7)2-1-3-6/h1-2H/b2-1-
InChIKeyXQQRJRXSMSXFNA-UPHRSURJSA-N
MW206.97 g/mol
LogP1.03
Rot. Bonds1

About (Z)-3-cyanoprop-2-enoyl iodide

(Z)-3-cyanoprop-2-enoyl iodide (PubChem CID 122607560) has the molecular formula C4H2INO and a molecular weight of 206.97 g/mol. Its IUPAC name is (Z)-3-cyanoprop-2-enoyl iodide.

Molecular Properties

Compound Name(Z)-3-cyanoprop-2-enoyl iodide
PubChem CID122607560
Molecular FormulaC4H2INO
Molecular Weight206.97 g/mol
Exact Mass206.92
IUPAC Name(Z)-3-cyanoprop-2-enoyl iodide
SMILESN#C/C=C\C(=O)I
InChIInChI=1S/C4H2INO/c5-4(7)2-1-3-6/h1-2H/b2-1-
InChIKeyXQQRJRXSMSXFNA-UPHRSURJSA-N
XLogP1.03
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.97
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyanoprop-2-enoyl iodide?
The IUPAC name of (Z)-3-cyanoprop-2-enoyl iodide (CID 122607560) is (Z)-3-cyanoprop-2-enoyl iodide.
What is the SMILES notation for (Z)-3-cyanoprop-2-enoyl iodide?
The canonical SMILES for (Z)-3-cyanoprop-2-enoyl iodide is N#C/C=C\C(=O)I.
What is the InChIKey of (Z)-3-cyanoprop-2-enoyl iodide?
The InChIKey is XQQRJRXSMSXFNA-UPHRSURJSA-N. The full InChI is InChI=1S/C4H2INO/c5-4(7)2-1-3-6/h1-2H/b2-1-.
What are the key properties of (Z)-3-cyanoprop-2-enoyl iodide?
(Z)-3-cyanoprop-2-enoyl iodide has a molecular weight of 206.97 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyanoprop-2-enoyl iodide is sourced from PubChem (CID 122607560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).