ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate

C15H21NO2 — CID 141310025

IUPACethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate
SMILESCCOC(=O)C1C=C2CCC3(C=C2NC1)CCC3
InChIInChI=1S/C15H21NO2/c1-2-18-14(17)12-8-11-4-7-15(5-3-6-15)9-13(11)16-10-12/h8-9,12,16H,2-7,10H2,1H3
InChIKeyADICOVJXZDGFDY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.54
Rot. Bonds2

About ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate

ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate (PubChem CID 141310025) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate.

Molecular Properties

Compound Nameethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate
PubChem CID141310025
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate
SMILESCCOC(=O)C1C=C2CCC3(C=C2NC1)CCC3
InChIInChI=1S/C15H21NO2/c1-2-18-14(17)12-8-11-4-7-15(5-3-6-15)9-13(11)16-10-12/h8-9,12,16H,2-7,10H2,1H3
InChIKeyADICOVJXZDGFDY-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate?
The IUPAC name of ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate (CID 141310025) is ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate.
What is the SMILES notation for ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate?
The canonical SMILES for ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate is CCOC(=O)C1C=C2CCC3(C=C2NC1)CCC3.
What is the InChIKey of ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate?
The InChIKey is ADICOVJXZDGFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-14(17)12-8-11-4-7-15(5-3-6-15)9-13(11)16-10-12/h8-9,12,16H,2-7,10H2,1H3.
What are the key properties of ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate?
ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[2,3,5,6-tetrahydro-1H-quinoline-7,1'-cyclobutane]-3-carboxylate is sourced from PubChem (CID 141310025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).