diiodovanadium;1-methylpyrrole-2,5-dione

C5H5I2NO2V — CID 162217566

IUPACdiiodovanadium;1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=CC1=O.I[V]I
InChIInChI=1S/C5H5NO2.2HI.V/c1-6-4(7)2-3-5(6)8;;;/h2-3H,1H3;2*1H;/q;;;+2/p-2
InChIKeyZTRFSRDBFSAZIE-UHFFFAOYSA-L
MW415.85 g/mol
LogP1.31
Rot. Bonds

About diiodovanadium;1-methylpyrrole-2,5-dione

diiodovanadium;1-methylpyrrole-2,5-dione (PubChem CID 162217566) has the molecular formula C5H5I2NO2V and a molecular weight of 415.85 g/mol. Its IUPAC name is diiodovanadium;1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Namediiodovanadium;1-methylpyrrole-2,5-dione
PubChem CID162217566
Molecular FormulaC5H5I2NO2V
Molecular Weight415.85 g/mol
Exact Mass415.78
IUPAC Namediiodovanadium;1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=CC1=O.I[V]I
InChIInChI=1S/C5H5NO2.2HI.V/c1-6-4(7)2-3-5(6)8;;;/h2-3H,1H3;2*1H;/q;;;+2/p-2
InChIKeyZTRFSRDBFSAZIE-UHFFFAOYSA-L
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.85
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione
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N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione
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CID 166651961
3-bromobut-3-en-2-one;but-3-en-2-one;3-chlorobut-3-en-2-one;1-methylpyrrole-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of diiodovanadium;1-methylpyrrole-2,5-dione?
The IUPAC name of diiodovanadium;1-methylpyrrole-2,5-dione (CID 162217566) is diiodovanadium;1-methylpyrrole-2,5-dione.
What is the SMILES notation for diiodovanadium;1-methylpyrrole-2,5-dione?
The canonical SMILES for diiodovanadium;1-methylpyrrole-2,5-dione is CN1C(=O)C=CC1=O.I[V]I.
What is the InChIKey of diiodovanadium;1-methylpyrrole-2,5-dione?
The InChIKey is ZTRFSRDBFSAZIE-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5NO2.2HI.V/c1-6-4(7)2-3-5(6)8;;;/h2-3H,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of diiodovanadium;1-methylpyrrole-2,5-dione?
diiodovanadium;1-methylpyrrole-2,5-dione has a molecular weight of 415.85 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;1-methylpyrrole-2,5-dione is sourced from PubChem (CID 162217566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).