sodium 2-(2,3-dihydroindol-1-yl)propanoate

C11H12NNaO2 — CID 71756961

IUPACsodium 2-(2,3-dihydroindol-1-yl)propanoate
SMILESCC(C(=O)[O-])N1CCc2ccccc21.[Na+]
InChIInChI=1S/C11H13NO2.Na/c1-8(11(13)14)12-7-6-9-4-2-3-5-10(9)12;/h2-5,8H,6-7H2,1H3,(H,13,14);/q;+1/p-1
InChIKeyIDXZMPROABRAOJ-UHFFFAOYSA-M
MW213.21 g/mol
LogP-2.81
Rot. Bonds2

About sodium 2-(2,3-dihydroindol-1-yl)propanoate

sodium 2-(2,3-dihydroindol-1-yl)propanoate (PubChem CID 71756961) has the molecular formula C11H12NNaO2 and a molecular weight of 213.21 g/mol. Its IUPAC name is sodium 2-(2,3-dihydroindol-1-yl)propanoate.

Molecular Properties

Compound Namesodium 2-(2,3-dihydroindol-1-yl)propanoate
PubChem CID71756961
Molecular FormulaC11H12NNaO2
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namesodium 2-(2,3-dihydroindol-1-yl)propanoate
SMILESCC(C(=O)[O-])N1CCc2ccccc21.[Na+]
InChIInChI=1S/C11H13NO2.Na/c1-8(11(13)14)12-7-6-9-4-2-3-5-10(9)12;/h2-5,8H,6-7H2,1H3,(H,13,14);/q;+1/p-1
InChIKeyIDXZMPROABRAOJ-UHFFFAOYSA-M
XLogP-2.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-2.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 667795
1-Methyl-2,3-dihydro-1H-indole
CID 55830
3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid
CID 647211
Methyl 2,3-dihydro-1H-indole-1-carboxylate
CID 690083
1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
CID 4308221
1,2-Dimethylindoline
CID 583485
tert-Butyl indoline-1-carboxylate
CID 3663954
Methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride
CID 130248626
2-(2-oxo-2,3-dihydro-1H-indol-1-yl)acetic acid
CID 20093508
1-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 42628253
1-[(2R)-2-propyl-2,3-dihydroindol-1-yl]ethanone
CID 42601239

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2,3-dihydroindol-1-yl)propanoate?
The IUPAC name of sodium 2-(2,3-dihydroindol-1-yl)propanoate (CID 71756961) is sodium 2-(2,3-dihydroindol-1-yl)propanoate.
What is the SMILES notation for sodium 2-(2,3-dihydroindol-1-yl)propanoate?
The canonical SMILES for sodium 2-(2,3-dihydroindol-1-yl)propanoate is CC(C(=O)[O-])N1CCc2ccccc21.[Na+].
What is the InChIKey of sodium 2-(2,3-dihydroindol-1-yl)propanoate?
The InChIKey is IDXZMPROABRAOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO2.Na/c1-8(11(13)14)12-7-6-9-4-2-3-5-10(9)12;/h2-5,8H,6-7H2,1H3,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-(2,3-dihydroindol-1-yl)propanoate?
sodium 2-(2,3-dihydroindol-1-yl)propanoate has a molecular weight of 213.21 g/mol, XLogP of -2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2,3-dihydroindol-1-yl)propanoate is sourced from PubChem (CID 71756961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).