methyl 7-methoxy-1H-indole-4-carboxylate

C11H11NO3 — CID 11020003

IUPACmethyl 7-methoxy-1H-indole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2[nH]ccc12
InChIInChI=1S/C11H11NO3/c1-14-9-4-3-8(11(13)15-2)7-5-6-12-10(7)9/h3-6,12H,1-2H3
InChIKeyVFDQIHFLPLWQDV-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.96
Rot. Bonds2

About methyl 7-methoxy-1H-indole-4-carboxylate

methyl 7-methoxy-1H-indole-4-carboxylate (PubChem CID 11020003) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 7-methoxy-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-1H-indole-4-carboxylate
PubChem CID11020003
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 7-methoxy-1H-indole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2[nH]ccc12
InChIInChI=1S/C11H11NO3/c1-14-9-4-3-8(11(13)15-2)7-5-6-12-10(7)9/h3-6,12H,1-2H3
InChIKeyVFDQIHFLPLWQDV-UHFFFAOYSA-N
XLogP1.96
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-1H-indole-4-carboxylate?
The IUPAC name of methyl 7-methoxy-1H-indole-4-carboxylate (CID 11020003) is methyl 7-methoxy-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 7-methoxy-1H-indole-4-carboxylate?
The canonical SMILES for methyl 7-methoxy-1H-indole-4-carboxylate is COC(=O)c1ccc(OC)c2[nH]ccc12.
What is the InChIKey of methyl 7-methoxy-1H-indole-4-carboxylate?
The InChIKey is VFDQIHFLPLWQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-9-4-3-8(11(13)15-2)7-5-6-12-10(7)9/h3-6,12H,1-2H3.
What are the key properties of methyl 7-methoxy-1H-indole-4-carboxylate?
methyl 7-methoxy-1H-indole-4-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-1H-indole-4-carboxylate is sourced from PubChem (CID 11020003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).