tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate

C12H20N2O2 — CID 155858967

IUPACtert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC=CCN2)C1
InChIInChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-8-12(9-14)6-4-5-7-13-12/h4-5,13H,6-9H2,1-3H3
InChIKeyJERYVUXLULPKOS-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.53
Rot. Bonds

About tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate

tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate (PubChem CID 155858967) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate
PubChem CID155858967
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nametert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC=CCN2)C1
InChIInChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-8-12(9-14)6-4-5-7-13-12/h4-5,13H,6-9H2,1-3H3
InChIKeyJERYVUXLULPKOS-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate
CID 155820592
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 2,5-dihydropyrrole-1-carboxylate;ethane
CID 143412058
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate
CID 171798737
tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 82623314
CID 58545566
CID 58545566
CID 176582761
CID 176582761

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate?
The IUPAC name of tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate (CID 155858967) is tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate.
What is the SMILES notation for tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate?
The canonical SMILES for tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CC=CCN2)C1.
What is the InChIKey of tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate?
The InChIKey is JERYVUXLULPKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-8-12(9-14)6-4-5-7-13-12/h4-5,13H,6-9H2,1-3H3.
What are the key properties of tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate?
tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate is sourced from PubChem (CID 155858967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).