(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate

C14H15NO4 — CID 18099294

IUPAC(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCOC(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C14H15NO4/c1-8-9(2)15-12-5-4-10(6-11(8)12)14(17)19-7-13(16)18-3/h4-6,15H,7H2,1-3H3
InChIKeyRKYIMRHHOFVMJZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.11
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate

(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate (PubChem CID 18099294) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
PubChem CID18099294
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCOC(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C14H15NO4/c1-8-9(2)15-12-5-4-10(6-11(8)12)14(17)19-7-13(16)18-3/h4-6,15H,7H2,1-3H3
InChIKeyRKYIMRHHOFVMJZ-UHFFFAOYSA-N
XLogP2.11
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080215
(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 9113754
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120693
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 8892731
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023
[2-(3-chloroanilino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120769
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120554
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 9111860
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080433
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 18104064
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate (CID 18099294) is (2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate is COC(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate?
The InChIKey is RKYIMRHHOFVMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-9(2)15-12-5-4-10(6-11(8)12)14(17)19-7-13(16)18-3/h4-6,15H,7H2,1-3H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate?
(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate is sourced from PubChem (CID 18099294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).