methyl 1-(2-methoxyethyl)indole-5-carboxylate

C13H15NO3 — CID 67169484

IUPACmethyl 1-(2-methoxyethyl)indole-5-carboxylate
SMILESCOCCn1ccc2cc(C(=O)OC)ccc21
InChIInChI=1S/C13H15NO3/c1-16-8-7-14-6-5-10-9-11(13(15)17-2)3-4-12(10)14/h3-6,9H,7-8H2,1-2H3
InChIKeyCDERANIWDRBLFR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.07
Rot. Bonds4

About methyl 1-(2-methoxyethyl)indole-5-carboxylate

methyl 1-(2-methoxyethyl)indole-5-carboxylate (PubChem CID 67169484) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 1-(2-methoxyethyl)indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethyl)indole-5-carboxylate
PubChem CID67169484
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 1-(2-methoxyethyl)indole-5-carboxylate
SMILESCOCCn1ccc2cc(C(=O)OC)ccc21
InChIInChI=1S/C13H15NO3/c1-16-8-7-14-6-5-10-9-11(13(15)17-2)3-4-12(10)14/h3-6,9H,7-8H2,1-2H3
InChIKeyCDERANIWDRBLFR-UHFFFAOYSA-N
XLogP2.07
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
1-(2-methoxyethyl)indol-5-ol
CID 138679498
5-ethyl-1-(2-methoxyethyl)indole
CID 71073272
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
1-(2-methoxyethyl)-5-methylindole
CID 116622979
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate
CID 90128387
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
CID 71753850
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 164580306
methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
CID 5191010

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethyl)indole-5-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethyl)indole-5-carboxylate (CID 67169484) is methyl 1-(2-methoxyethyl)indole-5-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethyl)indole-5-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethyl)indole-5-carboxylate is COCCn1ccc2cc(C(=O)OC)ccc21.
What is the InChIKey of methyl 1-(2-methoxyethyl)indole-5-carboxylate?
The InChIKey is CDERANIWDRBLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-16-8-7-14-6-5-10-9-11(13(15)17-2)3-4-12(10)14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of methyl 1-(2-methoxyethyl)indole-5-carboxylate?
methyl 1-(2-methoxyethyl)indole-5-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethyl)indole-5-carboxylate is sourced from PubChem (CID 67169484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).