1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone

C7H8INO — CID 163607393

IUPAC1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone
SMILESC=Ic1ccc(C(C)=O)[nH]1
InChIInChI=1S/C7H8INO/c1-5(10)6-3-4-7(8-2)9-6/h3-4,9H,2H2,1H3
InChIKeyHCYGFLQVTHSLOH-UHFFFAOYSA-N
MW249.05 g/mol
LogP1.79
Rot. Bonds2

About 1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone

1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone (PubChem CID 163607393) has the molecular formula C7H8INO and a molecular weight of 249.05 g/mol. Its IUPAC name is 1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone
PubChem CID163607393
Molecular FormulaC7H8INO
Molecular Weight249.05 g/mol
Exact Mass248.97
IUPAC Name1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone
SMILESC=Ic1ccc(C(C)=O)[nH]1
InChIInChI=1S/C7H8INO/c1-5(10)6-3-4-7(8-2)9-6/h3-4,9H,2H2,1H3
InChIKeyHCYGFLQVTHSLOH-UHFFFAOYSA-N
XLogP1.79
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone?
The IUPAC name of 1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone (CID 163607393) is 1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone is C=Ic1ccc(C(C)=O)[nH]1.
What is the InChIKey of 1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone?
The InChIKey is HCYGFLQVTHSLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO/c1-5(10)6-3-4-7(8-2)9-6/h3-4,9H,2H2,1H3.
What are the key properties of 1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone?
1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone has a molecular weight of 249.05 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylidene-λ3-iodanyl)-1H-pyrrol-2-yl]ethanone is sourced from PubChem (CID 163607393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).