methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate

C13H15NO3 — CID 10704781

IUPACmethyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
SMILESCOC(=O)c1c(C(C)O)n(C)c2ccccc12
InChIInChI=1S/C13H15NO3/c1-8(15)12-11(13(16)17-3)9-6-4-5-7-10(9)14(12)2/h4-8,15H,1-3H3
InChIKeyBZRKXYAFUWJTDX-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.02
Rot. Bonds2

About methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate

methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate (PubChem CID 10704781) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
PubChem CID10704781
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
SMILESCOC(=O)c1c(C(C)O)n(C)c2ccccc12
InChIInChI=1S/C13H15NO3/c1-8(15)12-11(13(16)17-3)9-6-4-5-7-10(9)14(12)2/h4-8,15H,1-3H3
InChIKeyBZRKXYAFUWJTDX-UHFFFAOYSA-N
XLogP2.02
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
CID 13186153
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
methyl 2-methyl-1-[(2R)-1-oxopropan-2-yl]indole-3-carboxylate
CID 142590019
dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate
CID 18366732
methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate
CID 13398396
methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate
CID 101259134
methyl 1-methyl-3-sulfinamoylindole-2-carboxylate
CID 1209072
methyl 1-(benzenesulfonyl)-2-[hydroxy(pyridin-2-yl)methyl]indole-3-carboxylate
CID 59030368
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667086

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate?
The IUPAC name of methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate (CID 10704781) is methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate.
What is the SMILES notation for methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate?
The canonical SMILES for methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate is COC(=O)c1c(C(C)O)n(C)c2ccccc12.
What is the InChIKey of methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate?
The InChIKey is BZRKXYAFUWJTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(15)12-11(13(16)17-3)9-6-4-5-7-10(9)14(12)2/h4-8,15H,1-3H3.
What are the key properties of methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate?
methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate is sourced from PubChem (CID 10704781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).