methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate

C15H19NO3 — CID 83947740

IUPACmethyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
SMILESCCc1ccc2c(c1)c(C(=O)OC)cn2CCCO
InChIInChI=1S/C15H19NO3/c1-3-11-5-6-14-12(9-11)13(15(18)19-2)10-16(14)7-4-8-17/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyZPVGRNPZWISSOK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.37
Rot. Bonds5

About methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate

methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate (PubChem CID 83947740) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
PubChem CID83947740
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
SMILESCCc1ccc2c(c1)c(C(=O)OC)cn2CCCO
InChIInChI=1S/C15H19NO3/c1-3-11-5-6-14-12(9-11)13(15(18)19-2)10-16(14)7-4-8-17/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyZPVGRNPZWISSOK-UHFFFAOYSA-N
XLogP2.37
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83948124
methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate
CID 83947485
1-[1-(3-hydroxypropyl)-5-propan-2-ylindol-3-yl]ethanone
CID 83947629
methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate
CID 57297438
3-acetyl-1,6-diethylquinolin-4-one
CID 58801712
1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylic acid
CID 83947486
methyl 6,7-dichloro-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947544
methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate
CID 83947420
3-(3,5-diethylindol-1-yl)propan-1-amine
CID 83948751
methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate
CID 70118140
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate
CID 83944534

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate?
The IUPAC name of methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate (CID 83947740) is methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate is CCc1ccc2c(c1)c(C(=O)OC)cn2CCCO.
What is the InChIKey of methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate?
The InChIKey is ZPVGRNPZWISSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-11-5-6-14-12(9-11)13(15(18)19-2)10-16(14)7-4-8-17/h5-6,9-10,17H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate?
methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate is sourced from PubChem (CID 83947740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).