sodium 1-methylinden-1-ide

C10H9Na — CID 175318654

IUPACsodium 1-methylinden-1-ide
SMILESC[c-]1ccc2ccccc21.[Na+]
InChIInChI=1S/C10H9.Na/c1-8-6-7-9-4-2-3-5-10(8)9;/h2-7H,1H3;/q-1;+1
InChIKeyDWTGBTZNBDCCPX-UHFFFAOYSA-N
MW152.17 g/mol
LogP-0.13
Rot. Bonds

About sodium 1-methylinden-1-ide

sodium 1-methylinden-1-ide (PubChem CID 175318654) has the molecular formula C10H9Na and a molecular weight of 152.17 g/mol. Its IUPAC name is sodium 1-methylinden-1-ide.

Molecular Properties

Compound Namesodium 1-methylinden-1-ide
PubChem CID175318654
Molecular FormulaC10H9Na
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Namesodium 1-methylinden-1-ide
SMILESC[c-]1ccc2ccccc21.[Na+]
InChIInChI=1S/C10H9.Na/c1-8-6-7-9-4-2-3-5-10(8)9;/h2-7H,1H3;/q-1;+1
InChIKeyDWTGBTZNBDCCPX-UHFFFAOYSA-N
XLogP-0.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze sodium 1-methylinden-1-ide 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

cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride
CID 87555526
1-propylinden-1-ide
CID 135030487
1-ethylinden-1-ide;titanium;dihydrobromide
CID 174711611
1-ethylinden-1-ide;hafnium;dihydrochloride
CID 174700662
bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride
CID 173246925
carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide
CID 175248588
1-phenylinden-1-ide;zirconium;dihydrochloride
CID 174700914
1-phenylinden-1-ide;zirconium;dihydroiodide
CID 174711483
1-butylinden-1-ide;carbanide;hafnium
CID 175086172
inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride
CID 173383686
inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+)
CID 173259494
1-benzylinden-1-ide;hafnium;dihydrochloride
CID 174711380

Frequently Asked Questions

What is the IUPAC name of sodium 1-methylinden-1-ide?
The IUPAC name of sodium 1-methylinden-1-ide (CID 175318654) is sodium 1-methylinden-1-ide.
What is the SMILES notation for sodium 1-methylinden-1-ide?
The canonical SMILES for sodium 1-methylinden-1-ide is C[c-]1ccc2ccccc21.[Na+].
What is the InChIKey of sodium 1-methylinden-1-ide?
The InChIKey is DWTGBTZNBDCCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.Na/c1-8-6-7-9-4-2-3-5-10(8)9;/h2-7H,1H3;/q-1;+1.
What are the key properties of sodium 1-methylinden-1-ide?
sodium 1-methylinden-1-ide has a molecular weight of 152.17 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-methylinden-1-ide is sourced from PubChem (CID 175318654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).