ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate

C19H19NO3 — CID 150573718

IUPACethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate
SMILESCCOC(=O)N1CC2(Cc3cc4ccccc4cc3CC2=O)C1
InChIInChI=1S/C19H19NO3/c1-2-23-18(22)20-11-19(12-20)10-16-8-14-6-4-3-5-13(14)7-15(16)9-17(19)21/h3-8H,2,9-12H2,1H3
InChIKeyIMJIVSLGRVAFGW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.97
Rot. Bonds1

About ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate

ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate (PubChem CID 150573718) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate
PubChem CID150573718
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate
SMILESCCOC(=O)N1CC2(Cc3cc4ccccc4cc3CC2=O)C1
InChIInChI=1S/C19H19NO3/c1-2-23-18(22)20-11-19(12-20)10-16-8-14-6-4-3-5-13(14)7-15(16)9-17(19)21/h3-8H,2,9-12H2,1H3
InChIKeyIMJIVSLGRVAFGW-UHFFFAOYSA-N
XLogP2.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate?
The IUPAC name of ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate (CID 150573718) is ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate.
What is the SMILES notation for ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate?
The canonical SMILES for ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate is CCOC(=O)N1CC2(Cc3cc4ccccc4cc3CC2=O)C1.
What is the InChIKey of ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate?
The InChIKey is IMJIVSLGRVAFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-23-18(22)20-11-19(12-20)10-16-8-14-6-4-3-5-13(14)7-15(16)9-17(19)21/h3-8H,2,9-12H2,1H3.
What are the key properties of ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate?
ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxospiro[1,4-dihydroanthracene-2,3'-azetidine]-1'-carboxylate is sourced from PubChem (CID 150573718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).