sodium 2-(2-methylindol-1-yl)acetate

C11H10NNaO2 — CID 18735252

IUPACsodium 2-(2-methylindol-1-yl)acetate
SMILESCc1cc2ccccc2n1CC(=O)[O-].[Na+]
InChIInChI=1S/C11H11NO2.Na/c1-8-6-9-4-2-3-5-10(9)12(8)7-11(13)14;/h2-6H,7H2,1H3,(H,13,14);/q;+1/p-1
InChIKeyJFKHUPUKIOQQBZ-UHFFFAOYSA-M
MW211.20 g/mol
LogP-2.30
Rot. Bonds2

About sodium 2-(2-methylindol-1-yl)acetate

sodium 2-(2-methylindol-1-yl)acetate (PubChem CID 18735252) has the molecular formula C11H10NNaO2 and a molecular weight of 211.20 g/mol. Its IUPAC name is sodium 2-(2-methylindol-1-yl)acetate.

Molecular Properties

Compound Namesodium 2-(2-methylindol-1-yl)acetate
PubChem CID18735252
Molecular FormulaC11H10NNaO2
Molecular Weight211.20 g/mol
Exact Mass211.06
IUPAC Namesodium 2-(2-methylindol-1-yl)acetate
SMILESCc1cc2ccccc2n1CC(=O)[O-].[Na+]
InChIInChI=1S/C11H11NO2.Na/c1-8-6-9-4-2-3-5-10(9)12(8)7-11(13)14;/h2-6H,7H2,1H3,(H,13,14);/q;+1/p-1
InChIKeyJFKHUPUKIOQQBZ-UHFFFAOYSA-M
XLogP-2.30
TPSA45.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-2.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
propan-2-yl 2-(2-methylindol-1-yl)acetate
CID 54940863
2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 62023736
2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 62024292
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 107844939
sodium;1-methoxy-2,4,5-trimethylbenzene;2-(2-methylindol-1-yl)acetate;molecular hydrogen;propylcyclohexane
CID 158611659
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
2-(2-methylindol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 9093001
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402
N-(4-bromophenyl)-2-(2-methylindol-1-yl)acetamide
CID 4226117
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283
2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4153492

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-methylindol-1-yl)acetate?
The IUPAC name of sodium 2-(2-methylindol-1-yl)acetate (CID 18735252) is sodium 2-(2-methylindol-1-yl)acetate.
What is the SMILES notation for sodium 2-(2-methylindol-1-yl)acetate?
The canonical SMILES for sodium 2-(2-methylindol-1-yl)acetate is Cc1cc2ccccc2n1CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(2-methylindol-1-yl)acetate?
The InChIKey is JFKHUPUKIOQQBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO2.Na/c1-8-6-9-4-2-3-5-10(9)12(8)7-11(13)14;/h2-6H,7H2,1H3,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-(2-methylindol-1-yl)acetate?
sodium 2-(2-methylindol-1-yl)acetate has a molecular weight of 211.20 g/mol, XLogP of -2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-methylindol-1-yl)acetate is sourced from PubChem (CID 18735252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).