ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate

C16H27NO2 — CID 13106435

IUPACethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate
SMILESCCOC(=O)CC1N(CC)CCCC12CC=CCC2
InChIInChI=1S/C16H27NO2/c1-3-17-12-8-11-16(9-6-5-7-10-16)14(17)13-15(18)19-4-2/h5-6,14H,3-4,7-13H2,1-2H3
InChIKeyUZPKGOZJPVIXCL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.15
Rot. Bonds4

About ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate

ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate (PubChem CID 13106435) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate
PubChem CID13106435
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Nameethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate
SMILESCCOC(=O)CC1N(CC)CCCC12CC=CCC2
InChIInChI=1S/C16H27NO2/c1-3-17-12-8-11-16(9-6-5-7-10-16)14(17)13-15(18)19-4-2/h5-6,14H,3-4,7-13H2,1-2H3
InChIKeyUZPKGOZJPVIXCL-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
The IUPAC name of ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate (CID 13106435) is ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate is CCOC(=O)CC1N(CC)CCCC12CC=CCC2.
What is the InChIKey of ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
The InChIKey is UZPKGOZJPVIXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-17-12-8-11-16(9-6-5-7-10-16)14(17)13-15(18)19-4-2/h5-6,14H,3-4,7-13H2,1-2H3.
What are the key properties of ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate has a molecular weight of 265.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate is sourced from PubChem (CID 13106435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).