tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate

C15H23NO4 — CID 169084023

IUPACtert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCCOC(=O)/C=C1\N(C(=O)OC(C)(C)C)CC12CCC2
InChIInChI=1S/C15H23NO4/c1-5-19-12(17)9-11-15(7-6-8-15)10-16(11)13(18)20-14(2,3)4/h9H,5-8,10H2,1-4H3/b11-9-
InChIKeyLEFNSGQTMPEDMZ-LUAWRHEFSA-N
MW281.35 g/mol
LogP2.85
Rot. Bonds2

About tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 169084023) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID169084023
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCCOC(=O)/C=C1\N(C(=O)OC(C)(C)C)CC12CCC2
InChIInChI=1S/C15H23NO4/c1-5-19-12(17)9-11-15(7-6-8-15)10-16(11)13(18)20-14(2,3)4/h9H,5-8,10H2,1-4H3/b11-9-
InChIKeyLEFNSGQTMPEDMZ-LUAWRHEFSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 154671989
CID 154671989
tert-butyl 4-(2-ethoxy-2-oxoethylidene)-2,2-dimethylpiperidine-1-carboxylate
CID 155892024
tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate
CID 139533484
tert-butyl 2-(2-ethoxy-2-oxoethylidene)-5-methylpyrrolidine-1-carboxylate
CID 155892500
tert-butyl (3E)-3-(2-ethoxy-2-oxoethylidene)-4-hydroxypiperidine-1-carboxylate
CID 169440077
6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate
CID 127264203
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
1-O-tert-butyl 4-O-ethyl 2,3-dihydropyrrole-1,4-dicarboxylate
CID 11806783
tert-butyl 3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-2-oxoimidazolidine-1-carboxylate
CID 122533954
ditert-butyl 2-(3-ethoxy-3-oxoprop-1-enyl)-2-methylpiperazine-1,4-dicarboxylate
CID 68769224

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate (CID 169084023) is tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate is CCOC(=O)/C=C1\N(C(=O)OC(C)(C)C)CC12CCC2.
What is the InChIKey of tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is LEFNSGQTMPEDMZ-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-19-12(17)9-11-15(7-6-8-15)10-16(11)13(18)20-14(2,3)4/h9H,5-8,10H2,1-4H3/b11-9-.
What are the key properties of tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 169084023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).