methyl 1H-indole-7-carboxylate

C10H9NO2 — CID 676694

IUPACmethyl 1H-indole-7-carboxylate
SMILESCOC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C10H9NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-6,11H,1H3
InChIKeyFTLOEULOTNVCGF-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.95
Rot. Bonds1

About methyl 1H-indole-7-carboxylate

methyl 1H-indole-7-carboxylate (PubChem CID 676694) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is methyl 1H-indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1H-indole-7-carboxylate
PubChem CID676694
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Namemethyl 1H-indole-7-carboxylate
SMILESCOC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C10H9NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-6,11H,1H3
InChIKeyFTLOEULOTNVCGF-UHFFFAOYSA-N
XLogP1.95
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Carboxylic Acid
CID 69867
Tropisetron
CID 656665
Methyl indole-3-acetate
CID 74706
3-Acetylindole
CID 12802
methyl 1H-indole-5-carboxylate
CID 2737635
Methyl indole-3-carboxylate
CID 589098
Tropisetron hydrochloride
CID 656664
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
1H-Indole-7-carboxylic acid
CID 74281
1H-Indole-5-Carboxylic Acid
CID 74280
2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 2063433
SB 203186
CID 3272300

Frequently Asked Questions

What is the IUPAC name of methyl 1H-indole-7-carboxylate?
The IUPAC name of methyl 1H-indole-7-carboxylate (CID 676694) is methyl 1H-indole-7-carboxylate.
What is the SMILES notation for methyl 1H-indole-7-carboxylate?
The canonical SMILES for methyl 1H-indole-7-carboxylate is COC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of methyl 1H-indole-7-carboxylate?
The InChIKey is FTLOEULOTNVCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-6,11H,1H3.
What are the key properties of methyl 1H-indole-7-carboxylate?
methyl 1H-indole-7-carboxylate has a molecular weight of 175.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1H-indole-7-carboxylate is sourced from PubChem (CID 676694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).