5-methoxy-7-methylindole-1-carboxylate

C11H10NO3- — CID 86701495

IUPAC5-methoxy-7-methylindole-1-carboxylate
SMILESCOc1cc(C)c2c(ccn2C(=O)[O-])c1
InChIInChI=1S/C11H11NO3/c1-7-5-9(15-2)6-8-3-4-12(10(7)8)11(13)14/h3-6H,1-2H3,(H,13,14)/p-1
InChIKeyAZWCYEUWOZBDCD-UHFFFAOYSA-M
MW204.20 g/mol
LogP1.15
Rot. Bonds1

About 5-methoxy-7-methylindole-1-carboxylate

5-methoxy-7-methylindole-1-carboxylate (PubChem CID 86701495) has the molecular formula C11H10NO3- and a molecular weight of 204.20 g/mol. Its IUPAC name is 5-methoxy-7-methylindole-1-carboxylate.

Molecular Properties

Compound Name5-methoxy-7-methylindole-1-carboxylate
PubChem CID86701495
Molecular FormulaC11H10NO3-
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name5-methoxy-7-methylindole-1-carboxylate
SMILESCOc1cc(C)c2c(ccn2C(=O)[O-])c1
InChIInChI=1S/C11H11NO3/c1-7-5-9(15-2)6-8-3-4-12(10(7)8)11(13)14/h3-6H,1-2H3,(H,13,14)/p-1
InChIKeyAZWCYEUWOZBDCD-UHFFFAOYSA-M
XLogP1.15
TPSA54.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-methoxy-7-methylindole-1-carboxylate
CID 100913508
5-methoxyindole-1-carboxylic acid
CID 68566461
tert-butyl 7-methyl-5-phenylmethoxyindole-1-carboxylate
CID 58021003
(2S)-2-(5-methoxy-7-methylindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 170003091
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
5,7-dimethylindole-1-carbothioamide
CID 91417032
6-methoxy-8-methylnaphthalene-2-carboxylic acid
CID 91342248
5-methoxy-1,7-dimethylindole-2-carbaldehyde
CID 105455211
1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
CID 84665339
5-methoxy-N-(4-methoxyphenyl)indole-1-carboxamide
CID 173299571
3-(4-methoxy-2,6-dimethylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 70019176
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methylindole-1-carboxylate?
The IUPAC name of 5-methoxy-7-methylindole-1-carboxylate (CID 86701495) is 5-methoxy-7-methylindole-1-carboxylate.
What is the SMILES notation for 5-methoxy-7-methylindole-1-carboxylate?
The canonical SMILES for 5-methoxy-7-methylindole-1-carboxylate is COc1cc(C)c2c(ccn2C(=O)[O-])c1.
What is the InChIKey of 5-methoxy-7-methylindole-1-carboxylate?
The InChIKey is AZWCYEUWOZBDCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO3/c1-7-5-9(15-2)6-8-3-4-12(10(7)8)11(13)14/h3-6H,1-2H3,(H,13,14)/p-1.
What are the key properties of 5-methoxy-7-methylindole-1-carboxylate?
5-methoxy-7-methylindole-1-carboxylate has a molecular weight of 204.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methylindole-1-carboxylate is sourced from PubChem (CID 86701495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).