methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate

C11H13NO2 — CID 22451281

IUPACmethyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate
SMILESCOC(=O)C1Cc2cc(C)ccc2N1
InChIInChI=1S/C11H13NO2/c1-7-3-4-9-8(5-7)6-10(12-9)11(13)14-2/h3-5,10,12H,6H2,1-2H3
InChIKeyAWPHQOCLRCMPJN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.50
Rot. Bonds1

About methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate

methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 22451281) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate
PubChem CID22451281
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate
SMILESCOC(=O)C1Cc2cc(C)ccc2N1
InChIInChI=1S/C11H13NO2/c1-7-3-4-9-8(5-7)6-10(12-9)11(13)14-2/h3-5,10,12H,6H2,1-2H3
InChIKeyAWPHQOCLRCMPJN-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate (CID 22451281) is methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate is COC(=O)C1Cc2cc(C)ccc2N1.
What is the InChIKey of methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is AWPHQOCLRCMPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-3-4-9-8(5-7)6-10(12-9)11(13)14-2/h3-5,10,12H,6H2,1-2H3.
What are the key properties of methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate?
methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 22451281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).