ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate

C18H25NO2 — CID 138757006

IUPACethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CC12CCCC2
InChIInChI=1S/C18H25NO2/c1-2-21-17(20)16-13-19(12-15-8-4-3-5-9-15)14-18(16)10-6-7-11-18/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyNJFOZYPOXRDBIF-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.24
Rot. Bonds4

About ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate

ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate (PubChem CID 138757006) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate
PubChem CID138757006
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CC12CCCC2
InChIInChI=1S/C18H25NO2/c1-2-21-17(20)16-13-19(12-15-8-4-3-5-9-15)14-18(16)10-6-7-11-18/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyNJFOZYPOXRDBIF-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate?
The IUPAC name of ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate (CID 138757006) is ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate?
The canonical SMILES for ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate is CCOC(=O)C1CN(Cc2ccccc2)CC12CCCC2.
What is the InChIKey of ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate?
The InChIKey is NJFOZYPOXRDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-21-17(20)16-13-19(12-15-8-4-3-5-9-15)14-18(16)10-6-7-11-18/h3-5,8-9,16H,2,6-7,10-14H2,1H3.
What are the key properties of ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate?
ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-2-azaspiro[4.4]nonane-4-carboxylate is sourced from PubChem (CID 138757006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).