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

C12H13NO2 — CID 11344717

IUPACmethyl 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C12H13NO2/c1-7-8(2)13-11-5-4-9(6-10(7)11)12(14)15-3/h4-6,13H,1-3H3
InChIKeyNFVUZOSPLNRNFF-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.57
Rot. Bonds1

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

methyl 2,3-dimethyl-1H-indole-5-carboxylate (PubChem CID 11344717) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2,3-dimethyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dimethyl-1H-indole-5-carboxylate
PubChem CID11344717
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C12H13NO2/c1-7-8(2)13-11-5-4-9(6-10(7)11)12(14)15-3/h4-6,13H,1-3H3
InChIKeyNFVUZOSPLNRNFF-UHFFFAOYSA-N
XLogP2.57
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 18099294
[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080215
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide
CID 82725792
methyl 3-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxylate
CID 69324670
N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115606615
(5-methoxy-4-oxopyran-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 71920587
(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 9113754
methyl 3,5,8,10-tetraoxo-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13(18),14,16-hexaene-15-carboxylate
CID 11696235
propan-2-yl 4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoate
CID 18288127
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethyl-1H-indole-5-carboxylate?
The IUPAC name of methyl 2,3-dimethyl-1H-indole-5-carboxylate (CID 11344717) is methyl 2,3-dimethyl-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 2,3-dimethyl-1H-indole-5-carboxylate?
The canonical SMILES for methyl 2,3-dimethyl-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of methyl 2,3-dimethyl-1H-indole-5-carboxylate?
The InChIKey is NFVUZOSPLNRNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-8(2)13-11-5-4-9(6-10(7)11)12(14)15-3/h4-6,13H,1-3H3.
What are the key properties of methyl 2,3-dimethyl-1H-indole-5-carboxylate?
methyl 2,3-dimethyl-1H-indole-5-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethyl-1H-indole-5-carboxylate is sourced from PubChem (CID 11344717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).