methyl 2-methyl-3-oxo-1H-indole-2-carboxylate

C11H11NO3 — CID 142664180

IUPACmethyl 2-methyl-3-oxo-1H-indole-2-carboxylate
SMILESCOC(=O)C1(C)Nc2ccccc2C1=O
InChIInChI=1S/C11H11NO3/c1-11(10(14)15-2)9(13)7-5-3-4-6-8(7)12-11/h3-6,12H,1-2H3
InChIKeyMSZOJTZOLJZUMT-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.23
Rot. Bonds1

About methyl 2-methyl-3-oxo-1H-indole-2-carboxylate

methyl 2-methyl-3-oxo-1H-indole-2-carboxylate (PubChem CID 142664180) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-methyl-3-oxo-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-oxo-1H-indole-2-carboxylate
PubChem CID142664180
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 2-methyl-3-oxo-1H-indole-2-carboxylate
SMILESCOC(=O)C1(C)Nc2ccccc2C1=O
InChIInChI=1S/C11H11NO3/c1-11(10(14)15-2)9(13)7-5-3-4-6-8(7)12-11/h3-6,12H,1-2H3
InChIKeyMSZOJTZOLJZUMT-UHFFFAOYSA-N
XLogP1.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-oxo-1H-indole-2-carboxylate?
The IUPAC name of methyl 2-methyl-3-oxo-1H-indole-2-carboxylate (CID 142664180) is methyl 2-methyl-3-oxo-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-oxo-1H-indole-2-carboxylate?
The canonical SMILES for methyl 2-methyl-3-oxo-1H-indole-2-carboxylate is COC(=O)C1(C)Nc2ccccc2C1=O.
What is the InChIKey of methyl 2-methyl-3-oxo-1H-indole-2-carboxylate?
The InChIKey is MSZOJTZOLJZUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-11(10(14)15-2)9(13)7-5-3-4-6-8(7)12-11/h3-6,12H,1-2H3.
What are the key properties of methyl 2-methyl-3-oxo-1H-indole-2-carboxylate?
methyl 2-methyl-3-oxo-1H-indole-2-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-oxo-1H-indole-2-carboxylate is sourced from PubChem (CID 142664180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).