ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate

C15H18N2O3 — CID 11065638

IUPACethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1/N=C(\C)OCC
InChIInChI=1S/C15H18N2O3/c1-4-19-10(3)16-13-11-8-6-7-9-12(11)17-14(13)15(18)20-5-2/h6-9,17H,4-5H2,1-3H3/b16-10+
InChIKeyGNOUWQMHXFPPCA-MHWRWJLKSA-N
MW274.32 g/mol
LogP3.43
Rot. Bonds4

About ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate

ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate (PubChem CID 11065638) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate
PubChem CID11065638
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1/N=C(\C)OCC
InChIInChI=1S/C15H18N2O3/c1-4-19-10(3)16-13-11-8-6-7-9-12(11)17-14(13)15(18)20-5-2/h6-9,17H,4-5H2,1-3H3/b16-10+
InChIKeyGNOUWQMHXFPPCA-MHWRWJLKSA-N
XLogP3.43
TPSA63.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate
CID 915584
ethyl 3-(thiomorpholin-4-yldiazenyl)-1H-indole-2-carboxylate
CID 914888
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl 3-(3-oxobutyl)-1H-indole-2-carboxylate
CID 11974884
ethyl 3-[1-(dimethylamino)ethylideneamino]-5-methyl-1H-indole-2-carboxylate
CID 651973
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
ethyl 3-(3-ethoxy-3-oxoprop-1-en-2-yl)-1H-indole-2-carboxylate
CID 13166911
ethyl 3-(1,2-dihydroxyethyl)-1H-indole-2-carboxylate
CID 100944788
ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
CID 11747350
ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 86224566

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate (CID 11065638) is ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1/N=C(\C)OCC.
What is the InChIKey of ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate?
The InChIKey is GNOUWQMHXFPPCA-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-19-10(3)16-13-11-8-6-7-9-12(11)17-14(13)15(18)20-5-2/h6-9,17H,4-5H2,1-3H3/b16-10+.
What are the key properties of ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate?
ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate is sourced from PubChem (CID 11065638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).