tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate

C12H19NO2 — CID 147010560

IUPACtert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate
SMILESC=C1CC2(CC2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO2/c1-9-7-12(5-6-12)8-13(9)10(14)15-11(2,3)4/h1,5-8H2,2-4H3
InChIKeyATUAHVYILYZCRT-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.92
Rot. Bonds

About tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate

tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 147010560) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID147010560
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nametert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate
SMILESC=C1CC2(CC2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO2/c1-9-7-12(5-6-12)8-13(9)10(14)15-11(2,3)4/h1,5-8H2,2-4H3
InChIKeyATUAHVYILYZCRT-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate
CID 131407351
tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate
CID 123959315
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate
CID 139533484
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate
CID 118333554
tert-butyl (1R,5S)-3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 97267889
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-azete-4-carboxylic acid
CID 167718053
tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate
CID 170907562
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate (CID 147010560) is tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate is C=C1CC2(CC2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is ATUAHVYILYZCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-7-12(5-6-12)8-13(9)10(14)15-11(2,3)4/h1,5-8H2,2-4H3.
What are the key properties of tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate?
tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 147010560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).