ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate

C17H23NO2 — CID 134962765

IUPACethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CC12CCC2
InChIInChI=1S/C17H23NO2/c1-2-20-16(19)15-12-18(13-17(15)9-6-10-17)11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyYBEPLKQAFPYSOL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.85
Rot. Bonds4

About ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate

ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate (PubChem CID 134962765) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate
PubChem CID134962765
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CC12CCC2
InChIInChI=1S/C17H23NO2/c1-2-20-16(19)15-12-18(13-17(15)9-6-10-17)11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyYBEPLKQAFPYSOL-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate?
The IUPAC name of ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate (CID 134962765) is ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate.
What is the SMILES notation for ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate?
The canonical SMILES for ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate is CCOC(=O)C1CN(Cc2ccccc2)CC12CCC2.
What is the InChIKey of ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate?
The InChIKey is YBEPLKQAFPYSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-20-16(19)15-12-18(13-17(15)9-6-10-17)11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3.
What are the key properties of ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate?
ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate is sourced from PubChem (CID 134962765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).