methyl 2-oxo-1,3-dihydroindole-6-carboxylate

C10H9NO3 — CID 3734372

IUPACmethyl 2-oxo-1,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12)
InChIKeyYFTGUNWFFVDLNM-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.97
Rot. Bonds1

About methyl 2-oxo-1,3-dihydroindole-6-carboxylate

methyl 2-oxo-1,3-dihydroindole-6-carboxylate (PubChem CID 3734372) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 2-oxo-1,3-dihydroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,3-dihydroindole-6-carboxylate
PubChem CID3734372
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 2-oxo-1,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12)
InChIKeyYFTGUNWFFVDLNM-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17623
Methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 667806
Methyl 3-(propionylamino)benzoate
CID 730634
4-Ethoxycarbonyl-2-quinolone
CID 160782
Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
Methyl 3-methyl-2-oxo-1,2-dihydro-4-quinolinecarboxylate
CID 751540
Methyl 4-[(1,3-dioxoisoindol-5-yl)carbamoyl]benzoate
CID 823524
Methyl 3-benzamidobenzoate
CID 730618
Methyl 3-[(2,2-dimethylpropanoyl)amino]benzoate
CID 2806328
3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid
CID 14624055
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
3-Acetamidophthalic Anhydride
CID 226121

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,3-dihydroindole-6-carboxylate?
The IUPAC name of methyl 2-oxo-1,3-dihydroindole-6-carboxylate (CID 3734372) is methyl 2-oxo-1,3-dihydroindole-6-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,3-dihydroindole-6-carboxylate?
The canonical SMILES for methyl 2-oxo-1,3-dihydroindole-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of methyl 2-oxo-1,3-dihydroindole-6-carboxylate?
The InChIKey is YFTGUNWFFVDLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of methyl 2-oxo-1,3-dihydroindole-6-carboxylate?
methyl 2-oxo-1,3-dihydroindole-6-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1,3-dihydroindole-6-carboxylate is sourced from PubChem (CID 3734372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).