(2H)iodane;2-methylprop-2-enal

C4H7IO — CID 159850320

IUPAC(2H)iodane;2-methylprop-2-enal
SMILESC=C(C)C=O.[2H]I
InChIInChI=1S/C4H6O.HI/c1-4(2)3-5;/h3H,1H2,2H3;1H/i/hD
InChIKeyNPVRALGSMLNSBH-DYCDLGHISA-N
MW199.01 g/mol
LogP1.38
Rot. Bonds1

About (2H)iodane;2-methylprop-2-enal

(2H)iodane;2-methylprop-2-enal (PubChem CID 159850320) has the molecular formula C4H7IO and a molecular weight of 199.01 g/mol. Its IUPAC name is (2H)iodane;2-methylprop-2-enal.

Molecular Properties

Compound Name(2H)iodane;2-methylprop-2-enal
PubChem CID159850320
Molecular FormulaC4H7IO
Molecular Weight199.01 g/mol
Exact Mass198.96
IUPAC Name(2H)iodane;2-methylprop-2-enal
SMILESC=C(C)C=O.[2H]I
InChIInChI=1S/C4H6O.HI/c1-4(2)3-5;/h3H,1H2,2H3;1H/i/hD
InChIKeyNPVRALGSMLNSBH-DYCDLGHISA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 51.38
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'}

Analyze (2H)iodane;2-methylprop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2H)iodane;2-methylprop-2-enal?
The IUPAC name of (2H)iodane;2-methylprop-2-enal (CID 159850320) is (2H)iodane;2-methylprop-2-enal.
What is the SMILES notation for (2H)iodane;2-methylprop-2-enal?
The canonical SMILES for (2H)iodane;2-methylprop-2-enal is C=C(C)C=O.[2H]I.
What is the InChIKey of (2H)iodane;2-methylprop-2-enal?
The InChIKey is NPVRALGSMLNSBH-DYCDLGHISA-N. The full InChI is InChI=1S/C4H6O.HI/c1-4(2)3-5;/h3H,1H2,2H3;1H/i/hD.
What are the key properties of (2H)iodane;2-methylprop-2-enal?
(2H)iodane;2-methylprop-2-enal has a molecular weight of 199.01 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2H)iodane;2-methylprop-2-enal is sourced from PubChem (CID 159850320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).