3-(4-iodophenyl)-2-methylprop-2-enamide

C10H10INO — CID 70292207

IUPAC3-(4-iodophenyl)-2-methylprop-2-enamide
SMILESCC(=Cc1ccc(I)cc1)C(N)=O
InChIInChI=1S/C10H10INO/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H2,12,13)
InChIKeySOMSQRGSKPMTPD-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.18
Rot. Bonds2

About 3-(4-iodophenyl)-2-methylprop-2-enamide

3-(4-iodophenyl)-2-methylprop-2-enamide (PubChem CID 70292207) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is 3-(4-iodophenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name3-(4-iodophenyl)-2-methylprop-2-enamide
PubChem CID70292207
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Name3-(4-iodophenyl)-2-methylprop-2-enamide
SMILESCC(=Cc1ccc(I)cc1)C(N)=O
InChIInChI=1S/C10H10INO/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H2,12,13)
InChIKeySOMSQRGSKPMTPD-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-(4-iodophenyl)-2-methylprop-2-enamide?
The IUPAC name of 3-(4-iodophenyl)-2-methylprop-2-enamide (CID 70292207) is 3-(4-iodophenyl)-2-methylprop-2-enamide.
What is the SMILES notation for 3-(4-iodophenyl)-2-methylprop-2-enamide?
The canonical SMILES for 3-(4-iodophenyl)-2-methylprop-2-enamide is CC(=Cc1ccc(I)cc1)C(N)=O.
What is the InChIKey of 3-(4-iodophenyl)-2-methylprop-2-enamide?
The InChIKey is SOMSQRGSKPMTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H2,12,13).
What are the key properties of 3-(4-iodophenyl)-2-methylprop-2-enamide?
3-(4-iodophenyl)-2-methylprop-2-enamide has a molecular weight of 287.10 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 70292207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).