methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate

C19H25NO2 — CID 46868381

IUPACmethyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate
SMILESCCC/C=C(\CCC)c1[nH]c2ccccc2c1CC(=O)OC
InChIInChI=1S/C19H25NO2/c1-4-6-10-14(9-5-2)19-16(13-18(21)22-3)15-11-7-8-12-17(15)20-19/h7-8,10-12,20H,4-6,9,13H2,1-3H3/b14-10+
InChIKeyXOSMHUWCTBCVPF-GXDHUFHOSA-N
MW299.41 g/mol
LogP4.87
Rot. Bonds7

About methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate

methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate (PubChem CID 46868381) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate
PubChem CID46868381
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namemethyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate
SMILESCCC/C=C(\CCC)c1[nH]c2ccccc2c1CC(=O)OC
InChIInChI=1S/C19H25NO2/c1-4-6-10-14(9-5-2)19-16(13-18(21)22-3)15-11-7-8-12-17(15)20-19/h7-8,10-12,20H,4-6,9,13H2,1-3H3/b14-10+
InChIKeyXOSMHUWCTBCVPF-GXDHUFHOSA-N
XLogP4.87
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-bromo-1H-indol-3-yl)acetate
CID 27281283
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
methyl 2-[2-(benzylamino)-1H-indol-3-yl]acetate
CID 57046316
methyl 3-(4-methoxy-4-oxobutyl)-1H-indole-2-carboxylate
CID 68579658
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate
CID 141481995
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate
CID 10737707
ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate
CID 138373891
3-(methoxymethyl)-1H-indole-2-carboxylic acid
CID 54375862
[3-(3-methoxy-3-oxopropyl)-1H-indol-2-yl]-trimethylazanium iodide
CID 45049272
2-[2-(2-methylpropanoyl)-1H-indol-3-yl]acetic acid
CID 54857086

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate?
The IUPAC name of methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate (CID 46868381) is methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate?
The canonical SMILES for methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate is CCC/C=C(\CCC)c1[nH]c2ccccc2c1CC(=O)OC.
What is the InChIKey of methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate?
The InChIKey is XOSMHUWCTBCVPF-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-6-10-14(9-5-2)19-16(13-18(21)22-3)15-11-7-8-12-17(15)20-19/h7-8,10-12,20H,4-6,9,13H2,1-3H3/b14-10+.
What are the key properties of methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate?
methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate has a molecular weight of 299.41 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate is sourced from PubChem (CID 46868381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).