methyl 5-hydroxyindole-1-carboxylate

C10H9NO3 — CID 162343401

IUPACmethyl 5-hydroxyindole-1-carboxylate
SMILESCOC(=O)n1ccc2cc(O)ccc21
InChIInChI=1S/C10H9NO3/c1-14-10(13)11-5-4-7-6-8(12)2-3-9(7)11/h2-6,12H,1H3
InChIKeyQRRDCMZJLZAOQH-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.96
Rot. Bonds

About methyl 5-hydroxyindole-1-carboxylate

methyl 5-hydroxyindole-1-carboxylate (PubChem CID 162343401) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 5-hydroxyindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxyindole-1-carboxylate
PubChem CID162343401
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 5-hydroxyindole-1-carboxylate
SMILESCOC(=O)n1ccc2cc(O)ccc21
InChIInChI=1S/C10H9NO3/c1-14-10(13)11-5-4-7-6-8(12)2-3-9(7)11/h2-6,12H,1H3
InChIKeyQRRDCMZJLZAOQH-UHFFFAOYSA-N
XLogP1.96
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxyindole-1-carboxylate?
The IUPAC name of methyl 5-hydroxyindole-1-carboxylate (CID 162343401) is methyl 5-hydroxyindole-1-carboxylate.
What is the SMILES notation for methyl 5-hydroxyindole-1-carboxylate?
The canonical SMILES for methyl 5-hydroxyindole-1-carboxylate is COC(=O)n1ccc2cc(O)ccc21.
What is the InChIKey of methyl 5-hydroxyindole-1-carboxylate?
The InChIKey is QRRDCMZJLZAOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-10(13)11-5-4-7-6-8(12)2-3-9(7)11/h2-6,12H,1H3.
What are the key properties of methyl 5-hydroxyindole-1-carboxylate?
methyl 5-hydroxyindole-1-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxyindole-1-carboxylate is sourced from PubChem (CID 162343401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).