(Z)-3-iodo-2-methylprop-2-enal

C4H5IO — CID 10607913

IUPAC(Z)-3-iodo-2-methylprop-2-enal
SMILESC/C(C=O)=C/I
InChIInChI=1S/C4H5IO/c1-4(2-5)3-6/h2-3H,1H3/b4-2-
InChIKeySOLWECSWXAZIHP-RQOWECAXSA-N
MW195.99 g/mol
LogP1.52
Rot. Bonds1

About (Z)-3-iodo-2-methylprop-2-enal

(Z)-3-iodo-2-methylprop-2-enal (PubChem CID 10607913) has the molecular formula C4H5IO and a molecular weight of 195.99 g/mol. Its IUPAC name is (Z)-3-iodo-2-methylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-iodo-2-methylprop-2-enal
PubChem CID10607913
Molecular FormulaC4H5IO
Molecular Weight195.99 g/mol
Exact Mass195.94
IUPAC Name(Z)-3-iodo-2-methylprop-2-enal
SMILESC/C(C=O)=C/I
InChIInChI=1S/C4H5IO/c1-4(2-5)3-6/h2-3H,1H3/b4-2-
InChIKeySOLWECSWXAZIHP-RQOWECAXSA-N
XLogP1.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-iodo-2-methylprop-2-enal?
The IUPAC name of (Z)-3-iodo-2-methylprop-2-enal (CID 10607913) is (Z)-3-iodo-2-methylprop-2-enal.
What is the SMILES notation for (Z)-3-iodo-2-methylprop-2-enal?
The canonical SMILES for (Z)-3-iodo-2-methylprop-2-enal is C/C(C=O)=C/I.
What is the InChIKey of (Z)-3-iodo-2-methylprop-2-enal?
The InChIKey is SOLWECSWXAZIHP-RQOWECAXSA-N. The full InChI is InChI=1S/C4H5IO/c1-4(2-5)3-6/h2-3H,1H3/b4-2-.
What are the key properties of (Z)-3-iodo-2-methylprop-2-enal?
(Z)-3-iodo-2-methylprop-2-enal has a molecular weight of 195.99 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodo-2-methylprop-2-enal is sourced from PubChem (CID 10607913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).