2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one

C13H19NO — CID 162419440

IUPAC2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one
SMILESCC(C)(C)N1CC2(C=CCC=C2)CC1=O
InChIInChI=1S/C13H19NO/c1-12(2,3)14-10-13(9-11(14)15)7-5-4-6-8-13/h5-8H,4,9-10H2,1-3H3
InChIKeyINYZVPNBDVGTKQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds

About 2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one

2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one (PubChem CID 162419440) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one.

Molecular Properties

Compound Name2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one
PubChem CID162419440
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one
SMILESCC(C)(C)N1CC2(C=CCC=C2)CC1=O
InChIInChI=1S/C13H19NO/c1-12(2,3)14-10-13(9-11(14)15)7-5-4-6-8-13/h5-8H,4,9-10H2,1-3H3
InChIKeyINYZVPNBDVGTKQ-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one?
The IUPAC name of 2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one (CID 162419440) is 2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one.
What is the SMILES notation for 2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one?
The canonical SMILES for 2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one is CC(C)(C)N1CC2(C=CCC=C2)CC1=O.
What is the InChIKey of 2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one?
The InChIKey is INYZVPNBDVGTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2,3)14-10-13(9-11(14)15)7-5-4-6-8-13/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one?
2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one has a molecular weight of 205.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one is sourced from PubChem (CID 162419440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).