[3-(1H-indol-3-yl)indol-3-yl] acetate

C18H14N2O2 — CID 175126456

IUPAC[3-(1H-indol-3-yl)indol-3-yl] acetate
SMILESCC(=O)OC1(c2c[nH]c3ccccc23)C=Nc2ccccc21
InChIInChI=1S/C18H14N2O2/c1-12(21)22-18(11-20-17-9-5-3-7-14(17)18)15-10-19-16-8-4-2-6-13(15)16/h2-11,19H,1H3
InChIKeyPMPVZIIDHHQOEN-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.69
Rot. Bonds2

About [3-(1H-indol-3-yl)indol-3-yl] acetate

[3-(1H-indol-3-yl)indol-3-yl] acetate (PubChem CID 175126456) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is [3-(1H-indol-3-yl)indol-3-yl] acetate.

Molecular Properties

Compound Name[3-(1H-indol-3-yl)indol-3-yl] acetate
PubChem CID175126456
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name[3-(1H-indol-3-yl)indol-3-yl] acetate
SMILESCC(=O)OC1(c2c[nH]c3ccccc23)C=Nc2ccccc21
InChIInChI=1S/C18H14N2O2/c1-12(21)22-18(11-20-17-9-5-3-7-14(17)18)15-10-19-16-8-4-2-6-13(15)16/h2-11,19H,1H3
InChIKeyPMPVZIIDHHQOEN-UHFFFAOYSA-N
XLogP3.69
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl acetate;3-methyl-1H-indole
CID 90804638
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
ethyl acetate;3-methyl-1H-indole
CID 68993310
[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842664
methyl (3S)-3-(1H-indol-3-yl)-1,1-dioxo-2H-1,2-benzothiazole-3-carboxylate
CID 139193090
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
1-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113209258
dimethyl 5-(dimethylamino)-5-(1H-indol-3-yl)-2H-1,2,4-triazine-3,6-dicarboxylate
CID 102268949
2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one
CID 155935668
(3R)-3-hydroxy-3-(1H-indol-3-yl)-5-methoxy-1H-indol-2-one
CID 92733868
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-yl)indol-3-yl] acetate?
The IUPAC name of [3-(1H-indol-3-yl)indol-3-yl] acetate (CID 175126456) is [3-(1H-indol-3-yl)indol-3-yl] acetate.
What is the SMILES notation for [3-(1H-indol-3-yl)indol-3-yl] acetate?
The canonical SMILES for [3-(1H-indol-3-yl)indol-3-yl] acetate is CC(=O)OC1(c2c[nH]c3ccccc23)C=Nc2ccccc21.
What is the InChIKey of [3-(1H-indol-3-yl)indol-3-yl] acetate?
The InChIKey is PMPVZIIDHHQOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-12(21)22-18(11-20-17-9-5-3-7-14(17)18)15-10-19-16-8-4-2-6-13(15)16/h2-11,19H,1H3.
What are the key properties of [3-(1H-indol-3-yl)indol-3-yl] acetate?
[3-(1H-indol-3-yl)indol-3-yl] acetate has a molecular weight of 290.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-yl)indol-3-yl] acetate is sourced from PubChem (CID 175126456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).