methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate

C14H15NO4 — CID 11184556

IUPACmethyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
SMILESCOC(=O)Cc1cc2cccc(CC(=O)OC)c2[nH]1
InChIInChI=1S/C14H15NO4/c1-18-12(16)7-10-5-3-4-9-6-11(15-14(9)10)8-13(17)19-2/h3-6,15H,7-8H2,1-2H3
InChIKeyGHGZNDNMIDNTNT-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.60
Rot. Bonds4

About methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate

methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate (PubChem CID 11184556) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
PubChem CID11184556
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
SMILESCOC(=O)Cc1cc2cccc(CC(=O)OC)c2[nH]1
InChIInChI=1S/C14H15NO4/c1-18-12(16)7-10-5-3-4-9-6-11(15-14(9)10)8-13(17)19-2/h3-6,15H,7-8H2,1-2H3
InChIKeyGHGZNDNMIDNTNT-UHFFFAOYSA-N
XLogP1.60
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-ethyl-1H-indol-2-yl)methanol
CID 84817992
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-(2,1-benzothiazol-7-yl)acetate
CID 134110087
methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate
CID 70109234
methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 54542343
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
CID 131599439
methyl 2-(2-propan-2-ylsulfanylphenyl)acetate
CID 67952900
[7-(aminomethyl)-1H-indol-2-yl]methanol
CID 117183472
N-[2-(7-methoxy-1H-indol-2-yl)ethyl]acetamide
CID 10704742
methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate
CID 170884501
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate
CID 68638559

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate?
The IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate (CID 11184556) is methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate is COC(=O)Cc1cc2cccc(CC(=O)OC)c2[nH]1.
What is the InChIKey of methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate?
The InChIKey is GHGZNDNMIDNTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-12(16)7-10-5-3-4-9-6-11(15-14(9)10)8-13(17)19-2/h3-6,15H,7-8H2,1-2H3.
What are the key properties of methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate?
methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate has a molecular weight of 261.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate is sourced from PubChem (CID 11184556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).