2-methylcyclopenta-1,3-diene;scandium

C6H7Sc- — CID 174626316

IUPAC2-methylcyclopenta-1,3-diene;scandium
SMILESCC1=[C-]CC=C1.[Sc]
InChIInChI=1S/C6H7.Sc/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;
InChIKeyQUTOPXOROVFBNB-UHFFFAOYSA-N
MW124.08 g/mol
LogP1.69
Rot. Bonds

About 2-methylcyclopenta-1,3-diene;scandium

2-methylcyclopenta-1,3-diene;scandium (PubChem CID 174626316) has the molecular formula C6H7Sc- and a molecular weight of 124.08 g/mol. Its IUPAC name is 2-methylcyclopenta-1,3-diene;scandium.

Molecular Properties

Compound Name2-methylcyclopenta-1,3-diene;scandium
PubChem CID174626316
Molecular FormulaC6H7Sc-
Molecular Weight124.08 g/mol
Exact Mass124.01
IUPAC Name2-methylcyclopenta-1,3-diene;scandium
SMILESCC1=[C-]CC=C1.[Sc]
InChIInChI=1S/C6H7.Sc/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;
InChIKeyQUTOPXOROVFBNB-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.08
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methylcyclopenta-1,3-diene;scandium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chromium;2-methylcyclopenta-1,3-diene
CID 173304853
hafnium;2-methylcyclopenta-1,3-diene
CID 173074070
manganese;2-methylcyclopenta-1,3-diene
CID 67103355
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+)
CID 22670313
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
CID 21256036
manganese(2+);2-methylcyclopenta-1,3-diene;chloride
CID 23039190
bis(2-methylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 22619663
hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)
CID 173032575
methane;bis(2-methylcyclopenta-1,3-diene);zirconium(2+)
CID 22027318
bis(2-methylcyclopenta-1,3-diene);zirconium;trihydrobromide;trihydrochloride
CID 175124905
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 174253848
ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride
CID 174356034

Frequently Asked Questions

What is the IUPAC name of 2-methylcyclopenta-1,3-diene;scandium?
The IUPAC name of 2-methylcyclopenta-1,3-diene;scandium (CID 174626316) is 2-methylcyclopenta-1,3-diene;scandium.
What is the SMILES notation for 2-methylcyclopenta-1,3-diene;scandium?
The canonical SMILES for 2-methylcyclopenta-1,3-diene;scandium is CC1=[C-]CC=C1.[Sc].
What is the InChIKey of 2-methylcyclopenta-1,3-diene;scandium?
The InChIKey is QUTOPXOROVFBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.Sc/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;.
What are the key properties of 2-methylcyclopenta-1,3-diene;scandium?
2-methylcyclopenta-1,3-diene;scandium has a molecular weight of 124.08 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopenta-1,3-diene;scandium is sourced from PubChem (CID 174626316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).