methyl (2S)-2-methyl-2H-indole-4-carboxylate

C11H11NO2 — CID 125421364

IUPACmethyl (2S)-2-methyl-2H-indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1=C[C@H](C)N=2
InChIInChI=1S/C11H11NO2/c1-7-6-9-8(11(13)14-2)4-3-5-10(9)12-7/h3-7H,1-2H3/t7-/m0/s1
InChIKeyGVBLTXBYPPRUJX-ZETCQYMHSA-N
MW189.21 g/mol
LogP0.28
Rot. Bonds1

About methyl (2S)-2-methyl-2H-indole-4-carboxylate

methyl (2S)-2-methyl-2H-indole-4-carboxylate (PubChem CID 125421364) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl (2S)-2-methyl-2H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-2H-indole-4-carboxylate
PubChem CID125421364
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl (2S)-2-methyl-2H-indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1=C[C@H](C)N=2
InChIInChI=1S/C11H11NO2/c1-7-6-9-8(11(13)14-2)4-3-5-10(9)12-7/h3-7H,1-2H3/t7-/m0/s1
InChIKeyGVBLTXBYPPRUJX-ZETCQYMHSA-N
XLogP0.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-fluoro-2H-indole-5-carboxylate
CID 150743225
methyl (6Z)-5-[(2S)-butan-2-yl]imino-6-ethylidene-4-fluorocyclohexa-1,3-diene-1-carboxylate
CID 176961281
ethyl (2R)-4-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478386
ethyl (2S)-4-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478387
ethyl (2R)-6-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478388
ethyl (2S)-6-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478389
ethyl (2R)-5-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478390
ethyl (2S)-5-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478391
methyl 7-fluoro-2H-indole-4-carboxylate
CID 129601468
Methyl 2-oxobenzimidazole-4-carboxylate
CID 53852123
Methyl pyrrolo[3,2-e]indole-1-carboxylate
CID 140982585
Pentyl 2-oxobenzimidazole-5-carboxylate
CID 141082669

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-2H-indole-4-carboxylate?
The IUPAC name of methyl (2S)-2-methyl-2H-indole-4-carboxylate (CID 125421364) is methyl (2S)-2-methyl-2H-indole-4-carboxylate.
What is the SMILES notation for methyl (2S)-2-methyl-2H-indole-4-carboxylate?
The canonical SMILES for methyl (2S)-2-methyl-2H-indole-4-carboxylate is COC(=O)c1cccc2c1=C[C@H](C)N=2.
What is the InChIKey of methyl (2S)-2-methyl-2H-indole-4-carboxylate?
The InChIKey is GVBLTXBYPPRUJX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-6-9-8(11(13)14-2)4-3-5-10(9)12-7/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of methyl (2S)-2-methyl-2H-indole-4-carboxylate?
methyl (2S)-2-methyl-2H-indole-4-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-2H-indole-4-carboxylate is sourced from PubChem (CID 125421364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).