4,7-dimethyl-1H-inden-1-ide;scandium

C11H11Sc- — CID 151166437

IUPAC4,7-dimethyl-1H-inden-1-ide;scandium
SMILESCc1ccc(C)c2[cH-]ccc12.[Sc]
InChIInChI=1S/C11H11.Sc/c1-8-6-7-9(2)11-5-3-4-10(8)11;/h3-7H,1-2H3;/q-1;
InChIKeyNXYZTZPFVLMRLO-UHFFFAOYSA-N
MW188.16 g/mol
LogP3.17
Rot. Bonds

About 4,7-dimethyl-1H-inden-1-ide;scandium

4,7-dimethyl-1H-inden-1-ide;scandium (PubChem CID 151166437) has the molecular formula C11H11Sc- and a molecular weight of 188.16 g/mol. Its IUPAC name is 4,7-dimethyl-1H-inden-1-ide;scandium.

Molecular Properties

Compound Name4,7-dimethyl-1H-inden-1-ide;scandium
PubChem CID151166437
Molecular FormulaC11H11Sc-
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name4,7-dimethyl-1H-inden-1-ide;scandium
SMILESCc1ccc(C)c2[cH-]ccc12.[Sc]
InChIInChI=1S/C11H11.Sc/c1-8-6-7-9(2)11-5-3-4-10(8)11;/h3-7H,1-2H3;/q-1;
InChIKeyNXYZTZPFVLMRLO-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1H-inden-1-ide;scandium?
The IUPAC name of 4,7-dimethyl-1H-inden-1-ide;scandium (CID 151166437) is 4,7-dimethyl-1H-inden-1-ide;scandium.
What is the SMILES notation for 4,7-dimethyl-1H-inden-1-ide;scandium?
The canonical SMILES for 4,7-dimethyl-1H-inden-1-ide;scandium is Cc1ccc(C)c2[cH-]ccc12.[Sc].
What is the InChIKey of 4,7-dimethyl-1H-inden-1-ide;scandium?
The InChIKey is NXYZTZPFVLMRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11.Sc/c1-8-6-7-9(2)11-5-3-4-10(8)11;/h3-7H,1-2H3;/q-1;.
What are the key properties of 4,7-dimethyl-1H-inden-1-ide;scandium?
4,7-dimethyl-1H-inden-1-ide;scandium has a molecular weight of 188.16 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1H-inden-1-ide;scandium is sourced from PubChem (CID 151166437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).