methyl 4-methoxy-1-methylindole-2-carboxylate

C12H13NO3 — CID 4777904

IUPACmethyl 4-methoxy-1-methylindole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cccc2n1C
InChIInChI=1S/C12H13NO3/c1-13-9-5-4-6-11(15-2)8(9)7-10(13)12(14)16-3/h4-7H,1-3H3
InChIKeyJUWHKCSKYDXOCV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.97
Rot. Bonds2

About methyl 4-methoxy-1-methylindole-2-carboxylate

methyl 4-methoxy-1-methylindole-2-carboxylate (PubChem CID 4777904) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 4-methoxy-1-methylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1-methylindole-2-carboxylate
PubChem CID4777904
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 4-methoxy-1-methylindole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cccc2n1C
InChIInChI=1S/C12H13NO3/c1-13-9-5-4-6-11(15-2)8(9)7-10(13)12(14)16-3/h4-7H,1-3H3
InChIKeyJUWHKCSKYDXOCV-UHFFFAOYSA-N
XLogP1.97
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1-methylindole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-1-methylindole-2-carboxylate (CID 4777904) is methyl 4-methoxy-1-methylindole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1-methylindole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-1-methylindole-2-carboxylate is COC(=O)c1cc2c(OC)cccc2n1C.
What is the InChIKey of methyl 4-methoxy-1-methylindole-2-carboxylate?
The InChIKey is JUWHKCSKYDXOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13-9-5-4-6-11(15-2)8(9)7-10(13)12(14)16-3/h4-7H,1-3H3.
What are the key properties of methyl 4-methoxy-1-methylindole-2-carboxylate?
methyl 4-methoxy-1-methylindole-2-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1-methylindole-2-carboxylate is sourced from PubChem (CID 4777904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).