methyl 7-methoxy-1,4-dimethylindole-2-carboxylate

C13H15NO3 — CID 132843169

IUPACmethyl 7-methoxy-1,4-dimethylindole-2-carboxylate
SMILESCOC(=O)c1cc2c(C)ccc(OC)c2n1C
InChIInChI=1S/C13H15NO3/c1-8-5-6-11(16-3)12-9(8)7-10(14(12)2)13(15)17-4/h5-7H,1-4H3
InChIKeyMDSFLPXZGKVKKF-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.28
Rot. Bonds2

About methyl 7-methoxy-1,4-dimethylindole-2-carboxylate

methyl 7-methoxy-1,4-dimethylindole-2-carboxylate (PubChem CID 132843169) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 7-methoxy-1,4-dimethylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-1,4-dimethylindole-2-carboxylate
PubChem CID132843169
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 7-methoxy-1,4-dimethylindole-2-carboxylate
SMILESCOC(=O)c1cc2c(C)ccc(OC)c2n1C
InChIInChI=1S/C13H15NO3/c1-8-5-6-11(16-3)12-9(8)7-10(14(12)2)13(15)17-4/h5-7H,1-4H3
InChIKeyMDSFLPXZGKVKKF-UHFFFAOYSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-1,4-dimethylindole-2-carboxylate?
The IUPAC name of methyl 7-methoxy-1,4-dimethylindole-2-carboxylate (CID 132843169) is methyl 7-methoxy-1,4-dimethylindole-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-1,4-dimethylindole-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-1,4-dimethylindole-2-carboxylate is COC(=O)c1cc2c(C)ccc(OC)c2n1C.
What is the InChIKey of methyl 7-methoxy-1,4-dimethylindole-2-carboxylate?
The InChIKey is MDSFLPXZGKVKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-5-6-11(16-3)12-9(8)7-10(14(12)2)13(15)17-4/h5-7H,1-4H3.
What are the key properties of methyl 7-methoxy-1,4-dimethylindole-2-carboxylate?
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-1,4-dimethylindole-2-carboxylate is sourced from PubChem (CID 132843169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).