1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione

C5H4INO2 — CID 147460696

IUPAC1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione
SMILESC=IN1C(=O)C=CC1=O
InChIInChI=1S/C5H4INO2/c1-6-7-4(8)2-3-5(7)9/h2-3H,1H2
InChIKeyDZWPAAMUPQBZFR-UHFFFAOYSA-N
MW237.00 g/mol
LogP0.23
Rot. Bonds1

About 1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione

1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione (PubChem CID 147460696) has the molecular formula C5H4INO2 and a molecular weight of 237.00 g/mol. Its IUPAC name is 1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione
PubChem CID147460696
Molecular FormulaC5H4INO2
Molecular Weight237.00 g/mol
Exact Mass236.93
IUPAC Name1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione
SMILESC=IN1C(=O)C=CC1=O
InChIInChI=1S/C5H4INO2/c1-6-7-4(8)2-3-5(7)9/h2-3H,1H2
InChIKeyDZWPAAMUPQBZFR-UHFFFAOYSA-N
XLogP0.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.00
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phosphorosopyrrole-2,5-dione
CID 130463981
1,6,6-trimethylpyridine-2,5-dione
CID 89065763
1-aminooxypyrrole-2,5-dione
CID 67427905
1-ethynylpyrrole-2,5-dione
CID 57020359
1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 90336155
diiodovanadium;1-methylpyrrole-2,5-dione
CID 162217566
prop-2-enyl 2-(2,5-dioxopyrrol-1-yl)-2-oxoacetate
CID 139567764
1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione
CID 51703961
diazenyl-(2,5-dioxopyrrol-1-yl)azanide
CID 20637220
carbanide;1-ethylpyrrole-2,5-dione;manganese(2+)
CID 59116237
carbanide;1-ethylpyrrole-2,5-dione;scandium
CID 148988249
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione
CID 139543847

Frequently Asked Questions

What is the IUPAC name of 1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione?
The IUPAC name of 1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione (CID 147460696) is 1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione is C=IN1C(=O)C=CC1=O.
What is the InChIKey of 1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione?
The InChIKey is DZWPAAMUPQBZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO2/c1-6-7-4(8)2-3-5(7)9/h2-3H,1H2.
What are the key properties of 1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione?
1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione has a molecular weight of 237.00 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione is sourced from PubChem (CID 147460696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).