methyl 2-oxoindole-6-carboxylate

C10H7NO3 — CID 53400341

IUPACmethyl 2-oxoindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NC(=O)C=2
InChIInChI=1S/C10H7NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-5H,1H3
InChIKeyBVQULCMQTAHZGP-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.59
Rot. Bonds1

About methyl 2-oxoindole-6-carboxylate

methyl 2-oxoindole-6-carboxylate (PubChem CID 53400341) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is methyl 2-oxoindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxoindole-6-carboxylate
PubChem CID53400341
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Namemethyl 2-oxoindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NC(=O)C=2
InChIInChI=1S/C10H7NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-5H,1H3
InChIKeyBVQULCMQTAHZGP-UHFFFAOYSA-N
XLogP-0.59
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxoindole-6-carboxylate?
The IUPAC name of methyl 2-oxoindole-6-carboxylate (CID 53400341) is methyl 2-oxoindole-6-carboxylate.
What is the SMILES notation for methyl 2-oxoindole-6-carboxylate?
The canonical SMILES for methyl 2-oxoindole-6-carboxylate is COC(=O)c1ccc2c(c1)=NC(=O)C=2.
What is the InChIKey of methyl 2-oxoindole-6-carboxylate?
The InChIKey is BVQULCMQTAHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-5H,1H3.
What are the key properties of methyl 2-oxoindole-6-carboxylate?
methyl 2-oxoindole-6-carboxylate has a molecular weight of 189.17 g/mol, XLogP of -0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxoindole-6-carboxylate is sourced from PubChem (CID 53400341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).