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'}

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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).