ethyl 6-amino-1H-indole-4-carboxylate

C11H12N2O2 — CID 53435938

IUPACethyl 6-amino-1H-indole-4-carboxylate
SMILESCCOC(=O)c1cc(N)cc2[nH]ccc12
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)9-5-7(12)6-10-8(9)3-4-13-10/h3-6,13H,2,12H2,1H3
InChIKeyIOIPCTASQXMKMV-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.93
Rot. Bonds2

About ethyl 6-amino-1H-indole-4-carboxylate

ethyl 6-amino-1H-indole-4-carboxylate (PubChem CID 53435938) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 6-amino-1H-indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-1H-indole-4-carboxylate
PubChem CID53435938
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 6-amino-1H-indole-4-carboxylate
SMILESCCOC(=O)c1cc(N)cc2[nH]ccc12
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)9-5-7(12)6-10-8(9)3-4-13-10/h3-6,13H,2,12H2,1H3
InChIKeyIOIPCTASQXMKMV-UHFFFAOYSA-N
XLogP1.93
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-benzoyl-1H-indole-4-carboxylate
CID 135007756
ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512
ethyl 4-(iodomethyl)-1H-indole-5-carboxylate
CID 89343822
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
ethyl 5-amino-3-chloro-2-cycloheptyloxybenzoate
CID 107197699
methyl 6-hydroxy-1H-indole-4-carboxylate
CID 76846746
ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-4-carboxylate;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-4-carboxylic acid
CID 157331243
ethyl 2-undecyl-1H-pyrrole-3-carboxylate
CID 11449260
ethyl 2-acetyl-4-aminobenzoate
CID 70477143
methyl 6-fluoro-1H-indole-4-carboxylate
CID 46835634
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate
CID 172558612

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-1H-indole-4-carboxylate?
The IUPAC name of ethyl 6-amino-1H-indole-4-carboxylate (CID 53435938) is ethyl 6-amino-1H-indole-4-carboxylate.
What is the SMILES notation for ethyl 6-amino-1H-indole-4-carboxylate?
The canonical SMILES for ethyl 6-amino-1H-indole-4-carboxylate is CCOC(=O)c1cc(N)cc2[nH]ccc12.
What is the InChIKey of ethyl 6-amino-1H-indole-4-carboxylate?
The InChIKey is IOIPCTASQXMKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11(14)9-5-7(12)6-10-8(9)3-4-13-10/h3-6,13H,2,12H2,1H3.
What are the key properties of ethyl 6-amino-1H-indole-4-carboxylate?
ethyl 6-amino-1H-indole-4-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-1H-indole-4-carboxylate is sourced from PubChem (CID 53435938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).