1,10-diazaspiro[4.6]undec-7-en-11-one

C9H14N2O — CID 86063184

IUPAC1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESO=C1NCC=CCC12CCCN2
InChIInChI=1S/C9H14N2O/c12-8-9(5-3-7-11-9)4-1-2-6-10-8/h1-2,11H,3-7H2,(H,10,12)
InChIKeyUVKSYLIOUSYQER-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.18
Rot. Bonds

About 1,10-diazaspiro[4.6]undec-7-en-11-one

1,10-diazaspiro[4.6]undec-7-en-11-one (PubChem CID 86063184) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,10-diazaspiro[4.6]undec-7-en-11-one.

Molecular Properties

Compound Name1,10-diazaspiro[4.6]undec-7-en-11-one
PubChem CID86063184
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESO=C1NCC=CCC12CCCN2
InChIInChI=1S/C9H14N2O/c12-8-9(5-3-7-11-9)4-1-2-6-10-8/h1-2,11H,3-7H2,(H,10,12)
InChIKeyUVKSYLIOUSYQER-UHFFFAOYSA-N
XLogP0.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,10-diazaspiro[4.6]undec-7-en-11-one?
The IUPAC name of 1,10-diazaspiro[4.6]undec-7-en-11-one (CID 86063184) is 1,10-diazaspiro[4.6]undec-7-en-11-one.
What is the SMILES notation for 1,10-diazaspiro[4.6]undec-7-en-11-one?
The canonical SMILES for 1,10-diazaspiro[4.6]undec-7-en-11-one is O=C1NCC=CCC12CCCN2.
What is the InChIKey of 1,10-diazaspiro[4.6]undec-7-en-11-one?
The InChIKey is UVKSYLIOUSYQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-8-9(5-3-7-11-9)4-1-2-6-10-8/h1-2,11H,3-7H2,(H,10,12).
What are the key properties of 1,10-diazaspiro[4.6]undec-7-en-11-one?
1,10-diazaspiro[4.6]undec-7-en-11-one has a molecular weight of 166.22 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazaspiro[4.6]undec-7-en-11-one is sourced from PubChem (CID 86063184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).