1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one

C10H15NO — CID 122163322

IUPAC1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one
SMILESCC(C)C1NC(=O)C12CC=CC2
InChIInChI=1S/C10H15NO/c1-7(2)8-10(9(12)11-8)5-3-4-6-10/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
InChIKeyIZOWYEJBPOAWDA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.48
Rot. Bonds1

About 1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one

1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one (PubChem CID 122163322) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one.

Molecular Properties

Compound Name1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one
PubChem CID122163322
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one
SMILESCC(C)C1NC(=O)C12CC=CC2
InChIInChI=1S/C10H15NO/c1-7(2)8-10(9(12)11-8)5-3-4-6-10/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
InChIKeyIZOWYEJBPOAWDA-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
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 1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one?
The IUPAC name of 1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one (CID 122163322) is 1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one.
What is the SMILES notation for 1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one?
The canonical SMILES for 1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one is CC(C)C1NC(=O)C12CC=CC2.
What is the InChIKey of 1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one?
The InChIKey is IZOWYEJBPOAWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)8-10(9(12)11-8)5-3-4-6-10/h3-4,7-8H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one?
1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one is sourced from PubChem (CID 122163322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).