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

C17H29NO2 — CID 13106437

IUPACethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate
SMILESCCCN1CCCC2(CC=CCC2)C1CC(=O)OCC
InChIInChI=1S/C17H29NO2/c1-3-12-18-13-8-11-17(9-6-5-7-10-17)15(18)14-16(19)20-4-2/h5-6,15H,3-4,7-14H2,1-2H3
InChIKeyRBUABMRIJQXXKY-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.54
Rot. Bonds5

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

ethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate (PubChem CID 13106437) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is ethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate
PubChem CID13106437
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Nameethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate
SMILESCCCN1CCCC2(CC=CCC2)C1CC(=O)OCC
InChIInChI=1S/C17H29NO2/c1-3-12-18-13-8-11-17(9-6-5-7-10-17)15(18)14-16(19)20-4-2/h5-6,15H,3-4,7-14H2,1-2H3
InChIKeyRBUABMRIJQXXKY-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.54
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-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
The IUPAC name of ethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate (CID 13106437) is ethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate is CCCN1CCCC2(CC=CCC2)C1CC(=O)OCC.
What is the InChIKey of ethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
The InChIKey is RBUABMRIJQXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-12-18-13-8-11-17(9-6-5-7-10-17)15(18)14-16(19)20-4-2/h5-6,15H,3-4,7-14H2,1-2H3.
What are the key properties of ethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
ethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate has a molecular weight of 279.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate is sourced from PubChem (CID 13106437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).