sodium 2-methylcyclopenta-1,3-diene

C6H7Na — CID 22482610

IUPACsodium 2-methylcyclopenta-1,3-diene
SMILESCC1=[C-]CC=C1.[Na+]
InChIInChI=1S/C6H7.Na/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;+1
InChIKeyUMNPERIIMBANHL-UHFFFAOYSA-N
MW102.11 g/mol
LogP-1.30
Rot. Bonds

About sodium 2-methylcyclopenta-1,3-diene

sodium 2-methylcyclopenta-1,3-diene (PubChem CID 22482610) has the molecular formula C6H7Na and a molecular weight of 102.11 g/mol. Its IUPAC name is sodium 2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Namesodium 2-methylcyclopenta-1,3-diene
PubChem CID22482610
Molecular FormulaC6H7Na
Molecular Weight102.11 g/mol
Exact Mass102.04
IUPAC Namesodium 2-methylcyclopenta-1,3-diene
SMILESCC1=[C-]CC=C1.[Na+]
InChIInChI=1S/C6H7.Na/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;+1
InChIKeyUMNPERIIMBANHL-UHFFFAOYSA-N
XLogP-1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 5-1.30
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 sodium 2-methylcyclopenta-1,3-diene?
The IUPAC name of sodium 2-methylcyclopenta-1,3-diene (CID 22482610) is sodium 2-methylcyclopenta-1,3-diene.
What is the SMILES notation for sodium 2-methylcyclopenta-1,3-diene?
The canonical SMILES for sodium 2-methylcyclopenta-1,3-diene is CC1=[C-]CC=C1.[Na+].
What is the InChIKey of sodium 2-methylcyclopenta-1,3-diene?
The InChIKey is UMNPERIIMBANHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.Na/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;+1.
What are the key properties of sodium 2-methylcyclopenta-1,3-diene?
sodium 2-methylcyclopenta-1,3-diene has a molecular weight of 102.11 g/mol, XLogP of -1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 22482610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).