5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene

C9H15NO — CID 171760216

IUPAC5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene
SMILESCC(C)(C)C1=NC2(CC2)CO1
InChIInChI=1S/C9H15NO/c1-8(2,3)7-10-9(4-5-9)6-11-7/h4-6H2,1-3H3
InChIKeyRRZKLCILFZVKBJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.99
Rot. Bonds

About 5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene

5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene (PubChem CID 171760216) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene.

Molecular Properties

Compound Name5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene
PubChem CID171760216
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene
SMILESCC(C)(C)C1=NC2(CC2)CO1
InChIInChI=1S/C9H15NO/c1-8(2,3)7-10-9(4-5-9)6-11-7/h4-6H2,1-3H3
InChIKeyRRZKLCILFZVKBJ-UHFFFAOYSA-N
XLogP1.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene?
The IUPAC name of 5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene (CID 171760216) is 5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene.
What is the SMILES notation for 5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene?
The canonical SMILES for 5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene is CC(C)(C)C1=NC2(CC2)CO1.
What is the InChIKey of 5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene?
The InChIKey is RRZKLCILFZVKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2,3)7-10-9(4-5-9)6-11-7/h4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene?
5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene has a molecular weight of 153.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-oxa-4-azaspiro[2.4]hept-4-ene is sourced from PubChem (CID 171760216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).