sodium 1H-inden-1-ide

C9H7Na — CID 11029903

IUPACsodium 1H-inden-1-ide
SMILES[Na+].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.Na/c1-2-5-9-7-3-6-8(9)4-1;/h1-7H;/q-1;+1
InChIKeyUDBORWKCIDLNIG-UHFFFAOYSA-N
MW138.14 g/mol
LogP-0.44
Rot. Bonds

About sodium 1H-inden-1-ide

sodium 1H-inden-1-ide (PubChem CID 11029903) has the molecular formula C9H7Na and a molecular weight of 138.14 g/mol. Its IUPAC name is sodium 1H-inden-1-ide.

Molecular Properties

Compound Namesodium 1H-inden-1-ide
PubChem CID11029903
Molecular FormulaC9H7Na
Molecular Weight138.14 g/mol
Exact Mass138.04
IUPAC Namesodium 1H-inden-1-ide
SMILES[Na+].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.Na/c1-2-5-9-7-3-6-8(9)4-1;/h1-7H;/q-1;+1
InChIKeyUDBORWKCIDLNIG-UHFFFAOYSA-N
XLogP-0.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 5-0.44
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 1H-inden-1-ide?
The IUPAC name of sodium 1H-inden-1-ide (CID 11029903) is sodium 1H-inden-1-ide.
What is the SMILES notation for sodium 1H-inden-1-ide?
The canonical SMILES for sodium 1H-inden-1-ide is [Na+].c1ccc2[cH-]ccc2c1.
What is the InChIKey of sodium 1H-inden-1-ide?
The InChIKey is UDBORWKCIDLNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.Na/c1-2-5-9-7-3-6-8(9)4-1;/h1-7H;/q-1;+1.
What are the key properties of sodium 1H-inden-1-ide?
sodium 1H-inden-1-ide has a molecular weight of 138.14 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1H-inden-1-ide is sourced from PubChem (CID 11029903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).