tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate

C15H23NO3 — CID 146276977

IUPACtert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate
SMILESC=CCC1CC2(CC1=O)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H23NO3/c1-5-6-11-7-15(8-12(11)17)9-16(10-15)13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3
InChIKeyFEDDCOOJSKIHMI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.78
Rot. Bonds2

About tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate

tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 146276977) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID146276977
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate
SMILESC=CCC1CC2(CC1=O)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H23NO3/c1-5-6-11-7-15(8-12(11)17)9-16(10-15)13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3
InChIKeyFEDDCOOJSKIHMI-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate
CID 177113138
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate
CID 168683863
6-O-tert-butyl 2-O-prop-2-enyl 7-hydroxy-2,6-diazaspiro[3.4]octane-2,6-dicarboxylate
CID 169199515
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl (3aR)-6a-methyl-4-oxo-5-prop-2-enyl-2,3a,5,6-tetrahydrocyclopenta[d][1,3]thiazole-3-carboxylate
CID 163625329
tert-butyl 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylate
CID 20780852
tert-butyl 6-(2-oxopropylidene)-2-azaspiro[3.3]heptane-2-carboxylate
CID 155591898
tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;spiro[3.3]heptan-2-one;2,2,2-trifluoroacetaldehyde
CID 165071041
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
1-O-tert-butyl 2-O-ethyl (2S,4R)-5-oxo-4-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 5287387
tert-butyl 6-[(E)-hydroxyiminomethyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 170578230

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate (CID 146276977) is tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate is C=CCC1CC2(CC1=O)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is FEDDCOOJSKIHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-11-7-15(8-12(11)17)9-16(10-15)13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3.
What are the key properties of tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate?
tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 146276977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).