tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate

C13H19NO3 — CID 170693343

IUPACtert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC2(CC1)CC(=O)C2
InChIInChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(15)9-13/h4,6H,5,7-9H2,1-3H3
InChIKeyQGKPUCCLHOEGRO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.49
Rot. Bonds

About tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate

tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate (PubChem CID 170693343) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate
PubChem CID170693343
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC2(CC1)CC(=O)C2
InChIInChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(15)9-13/h4,6H,5,7-9H2,1-3H3
InChIKeyQGKPUCCLHOEGRO-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 155190876
tert-butyl 4,4-dimethoxy-2,3-dihydropyridine-1-carboxylate
CID 141477701
tert-butyl 4-(chloromethyl)-4-hydroxy-2,3-dihydropyridine-1-carboxylate
CID 102125858
tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate
CID 176830115
ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447
tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate
CID 10561852
tert-butyl 4-dimethylphosphoryl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 175687574
tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate
CID 58574724
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018
tert-butyl 3,3-dicyano-2H-pyrrole-1-carboxylate
CID 133188407
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate?
The IUPAC name of tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate (CID 170693343) is tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate is CC(C)(C)OC(=O)N1C=CC2(CC1)CC(=O)C2.
What is the InChIKey of tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate?
The InChIKey is QGKPUCCLHOEGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(15)9-13/h4,6H,5,7-9H2,1-3H3.
What are the key properties of tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate?
tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate is sourced from PubChem (CID 170693343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).