ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate

C11H15NO2 — CID 12530988

IUPACethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate
SMILESCCOC(=O)N1C=CC2(C=C1)CCC2
InChIInChI=1S/C11H15NO2/c1-2-14-10(13)12-8-6-11(7-9-12)4-3-5-11/h6-9H,2-5H2,1H3
InChIKeyGIZBOASXLXLMAW-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.66
Rot. Bonds1

About ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate

ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate (PubChem CID 12530988) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate.

Molecular Properties

Compound Nameethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate
PubChem CID12530988
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate
SMILESCCOC(=O)N1C=CC2(C=C1)CCC2
InChIInChI=1S/C11H15NO2/c1-2-14-10(13)12-8-6-11(7-9-12)4-3-5-11/h6-9H,2-5H2,1H3
InChIKeyGIZBOASXLXLMAW-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 4,4-dimethylpyridine-1-carboxylate
CID 12391526
Ethyl 8-azaspiro[4.5]deca-6,9-diene-8-carboxylate
CID 318261
Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
CID 276445
Ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
CID 12530992
Ethyl 4,4-diethylpyridine-1-carboxylate
CID 154423306
ethyl 4-butyl-1(4H)-pyridinecarboxylate
CID 12885280
ethyl 4-but-3-enyl-4H-pyridine-1-carboxylate
CID 15093743

Frequently Asked Questions

What is the IUPAC name of ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate?
The IUPAC name of ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate (CID 12530988) is ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate.
What is the SMILES notation for ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate?
The canonical SMILES for ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate is CCOC(=O)N1C=CC2(C=C1)CCC2.
What is the InChIKey of ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate?
The InChIKey is GIZBOASXLXLMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-10(13)12-8-6-11(7-9-12)4-3-5-11/h6-9H,2-5H2,1H3.
What are the key properties of ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate?
ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate is sourced from PubChem (CID 12530988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).