carbanide;1-ethylpyrrole-2,5-dione;scandium

C7H9NO2Sc-2 — CID 148988249

IUPACcarbanide;1-ethylpyrrole-2,5-dione;scandium
SMILES[CH2-]CN1C(=O)C=CC1=O.[CH3-].[Sc]
InChIInChI=1S/C6H6NO2.CH3.Sc/c1-2-7-5(8)3-4-6(7)9;;/h3-4H,1-2H2;1H3;/q2*-1;
InChIKeyKPMUUBYZHCTAMJ-UHFFFAOYSA-N
MW184.11 g/mol
LogP0.19
Rot. Bonds1

About carbanide;1-ethylpyrrole-2,5-dione;scandium

carbanide;1-ethylpyrrole-2,5-dione;scandium (PubChem CID 148988249) has the molecular formula C7H9NO2Sc-2 and a molecular weight of 184.11 g/mol. Its IUPAC name is carbanide;1-ethylpyrrole-2,5-dione;scandium.

Molecular Properties

Compound Namecarbanide;1-ethylpyrrole-2,5-dione;scandium
PubChem CID148988249
Molecular FormulaC7H9NO2Sc-2
Molecular Weight184.11 g/mol
Exact Mass184.02
IUPAC Namecarbanide;1-ethylpyrrole-2,5-dione;scandium
SMILES[CH2-]CN1C(=O)C=CC1=O.[CH3-].[Sc]
InChIInChI=1S/C6H6NO2.CH3.Sc/c1-2-7-5(8)3-4-6(7)9;;/h3-4H,1-2H2;1H3;/q2*-1;
InChIKeyKPMUUBYZHCTAMJ-UHFFFAOYSA-N
XLogP0.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;1-ethylpyrrole-2,5-dione;scandium?
The IUPAC name of carbanide;1-ethylpyrrole-2,5-dione;scandium (CID 148988249) is carbanide;1-ethylpyrrole-2,5-dione;scandium.
What is the SMILES notation for carbanide;1-ethylpyrrole-2,5-dione;scandium?
The canonical SMILES for carbanide;1-ethylpyrrole-2,5-dione;scandium is [CH2-]CN1C(=O)C=CC1=O.[CH3-].[Sc].
What is the InChIKey of carbanide;1-ethylpyrrole-2,5-dione;scandium?
The InChIKey is KPMUUBYZHCTAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO2.CH3.Sc/c1-2-7-5(8)3-4-6(7)9;;/h3-4H,1-2H2;1H3;/q2*-1;.
What are the key properties of carbanide;1-ethylpyrrole-2,5-dione;scandium?
carbanide;1-ethylpyrrole-2,5-dione;scandium has a molecular weight of 184.11 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-ethylpyrrole-2,5-dione;scandium is sourced from PubChem (CID 148988249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).