sodium 2,3,3-trimethyl-5H-indol-5-ide

C11H12NNa — CID 58567027

IUPACsodium 2,3,3-trimethyl-5H-indol-5-ide
SMILESCC1=Nc2cc[c-]cc2C1(C)C.[Na+]
InChIInChI=1S/C11H12N.Na/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;/h5-7H,1-3H3;/q-1;+1
InChIKeyKTOPPAXMZZVVRV-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.13
Rot. Bonds

About sodium 2,3,3-trimethyl-5H-indol-5-ide

sodium 2,3,3-trimethyl-5H-indol-5-ide (PubChem CID 58567027) has the molecular formula C11H12NNa and a molecular weight of 181.21 g/mol. Its IUPAC name is sodium 2,3,3-trimethyl-5H-indol-5-ide.

Molecular Properties

Compound Namesodium 2,3,3-trimethyl-5H-indol-5-ide
PubChem CID58567027
Molecular FormulaC11H12NNa
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Namesodium 2,3,3-trimethyl-5H-indol-5-ide
SMILESCC1=Nc2cc[c-]cc2C1(C)C.[Na+]
InChIInChI=1S/C11H12N.Na/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;/h5-7H,1-3H3;/q-1;+1
InChIKeyKTOPPAXMZZVVRV-UHFFFAOYSA-N
XLogP-0.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethylcarbazole
CID 20098137
21-Azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene
CID 20512480
2,2,3-Trimethylcarbazole
CID 21880529
3,4,4-Trimethylcarbazole
CID 22250977
2-Methylbenzo[c]indole
CID 44182047
potassium 2,3,3-trimethyl-5H-indol-5-ide
CID 58220092
N-(3-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)
CID 58259817
N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)
CID 58259819
2-methyl-4,5-dihydro-3H-indole
CID 59759818
2-tert-butyl-4H-indole
CID 67269557
2-But-2-enyl-2,3,4-trimethylcarbazole
CID 87320214
3-Buta-1,3-dienyl-2,2-dimethylcarbazole
CID 88201180

Frequently Asked Questions

What is the IUPAC name of sodium 2,3,3-trimethyl-5H-indol-5-ide?
The IUPAC name of sodium 2,3,3-trimethyl-5H-indol-5-ide (CID 58567027) is sodium 2,3,3-trimethyl-5H-indol-5-ide.
What is the SMILES notation for sodium 2,3,3-trimethyl-5H-indol-5-ide?
The canonical SMILES for sodium 2,3,3-trimethyl-5H-indol-5-ide is CC1=Nc2cc[c-]cc2C1(C)C.[Na+].
What is the InChIKey of sodium 2,3,3-trimethyl-5H-indol-5-ide?
The InChIKey is KTOPPAXMZZVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N.Na/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;/h5-7H,1-3H3;/q-1;+1.
What are the key properties of sodium 2,3,3-trimethyl-5H-indol-5-ide?
sodium 2,3,3-trimethyl-5H-indol-5-ide has a molecular weight of 181.21 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,3,3-trimethyl-5H-indol-5-ide is sourced from PubChem (CID 58567027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).