ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

C15H18N2O2 — CID 10858159

IUPACethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
SMILESCCOC(=O)N1[C@@H]2CC=C(c3cccnc3)[C@H]1CC2
InChIInChI=1S/C15H18N2O2/c1-2-19-15(18)17-12-5-7-13(14(17)8-6-12)11-4-3-9-16-10-11/h3-4,7,9-10,12,14H,2,5-6,8H2,1H3/t12-,14-/m1/s1
InChIKeyWYDZZPOPZONOFF-TZMCWYRMSA-N
MW258.32 g/mol
LogP2.86
Rot. Bonds2

About ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate (PubChem CID 10858159) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate.

Molecular Properties

Compound Nameethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
PubChem CID10858159
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
SMILESCCOC(=O)N1[C@@H]2CC=C(c3cccnc3)[C@H]1CC2
InChIInChI=1S/C15H18N2O2/c1-2-19-15(18)17-12-5-7-13(14(17)8-6-12)11-4-3-9-16-10-11/h3-4,7,9-10,12,14H,2,5-6,8H2,1H3/t12-,14-/m1/s1
InChIKeyWYDZZPOPZONOFF-TZMCWYRMSA-N
XLogP2.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetyl]amino]benzoate
CID 121116875
ethenyl 2-pyrimidin-5-yl-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
CID 70182864
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 1155039
ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
CID 139617261
ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
CID 143451884
2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 121116842
(1R,5R,6R)-8-benzoyl-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-6-carboxylic acid
CID 97289912
diethyl 1,2,6-trimethyl-4-(4-pyridin-3-ylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 67690089
8-O-butyl 2-O-methyl 8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
CID 67516294
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate
CID 21104489

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The IUPAC name of ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate (CID 10858159) is ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate.
What is the SMILES notation for ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The canonical SMILES for ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate is CCOC(=O)N1[C@@H]2CC=C(c3cccnc3)[C@H]1CC2.
What is the InChIKey of ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The InChIKey is WYDZZPOPZONOFF-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-19-15(18)17-12-5-7-13(14(17)8-6-12)11-4-3-9-16-10-11/h3-4,7,9-10,12,14H,2,5-6,8H2,1H3/t12-,14-/m1/s1.
What are the key properties of ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,5S)-2-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate is sourced from PubChem (CID 10858159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).