ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate

C16H18N2O2 — CID 6610195

IUPACethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(c2cc3ccccc3[nH]2)NC1
InChIInChI=1S/C16H18N2O2/c1-2-20-16(19)12-7-8-14(17-10-12)15-9-11-5-3-4-6-13(11)18-15/h3-7,9,14,17-18H,2,8,10H2,1H3
InChIKeyXUNYHEYETPUVQR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.69
Rot. Bonds3

About ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate

ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate (PubChem CID 6610195) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate
PubChem CID6610195
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(c2cc3ccccc3[nH]2)NC1
InChIInChI=1S/C16H18N2O2/c1-2-20-16(19)12-7-8-14(17-10-12)15-9-11-5-3-4-6-13(11)18-15/h3-7,9,14,17-18H,2,8,10H2,1H3
InChIKeyXUNYHEYETPUVQR-UHFFFAOYSA-N
XLogP2.69
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate?
The IUPAC name of ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate (CID 6610195) is ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate?
The canonical SMILES for ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate is CCOC(=O)C1=CCC(c2cc3ccccc3[nH]2)NC1.
What is the InChIKey of ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate?
The InChIKey is XUNYHEYETPUVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-16(19)12-7-8-14(17-10-12)15-9-11-5-3-4-6-13(11)18-15/h3-7,9,14,17-18H,2,8,10H2,1H3.
What are the key properties of ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate?
ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-indol-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate is sourced from PubChem (CID 6610195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).