2,9-diazaspiro[5.5]undec-4-en-1-one

C9H14N2O — CID 89259547

IUPAC2,9-diazaspiro[5.5]undec-4-en-1-one
SMILESO=C1NCC=CC12CCNCC2
InChIInChI=1S/C9H14N2O/c12-8-9(2-1-5-11-8)3-6-10-7-4-9/h1-2,10H,3-7H2,(H,11,12)
InChIKeyFQCBJEJXGQQBMO-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.04
Rot. Bonds

About 2,9-diazaspiro[5.5]undec-4-en-1-one

2,9-diazaspiro[5.5]undec-4-en-1-one (PubChem CID 89259547) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,9-diazaspiro[5.5]undec-4-en-1-one.

Molecular Properties

Compound Name2,9-diazaspiro[5.5]undec-4-en-1-one
PubChem CID89259547
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,9-diazaspiro[5.5]undec-4-en-1-one
SMILESO=C1NCC=CC12CCNCC2
InChIInChI=1S/C9H14N2O/c12-8-9(2-1-5-11-8)3-6-10-7-4-9/h1-2,10H,3-7H2,(H,11,12)
InChIKeyFQCBJEJXGQQBMO-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
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 2,9-diazaspiro[5.5]undec-4-en-1-one?
The IUPAC name of 2,9-diazaspiro[5.5]undec-4-en-1-one (CID 89259547) is 2,9-diazaspiro[5.5]undec-4-en-1-one.
What is the SMILES notation for 2,9-diazaspiro[5.5]undec-4-en-1-one?
The canonical SMILES for 2,9-diazaspiro[5.5]undec-4-en-1-one is O=C1NCC=CC12CCNCC2.
What is the InChIKey of 2,9-diazaspiro[5.5]undec-4-en-1-one?
The InChIKey is FQCBJEJXGQQBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-8-9(2-1-5-11-8)3-6-10-7-4-9/h1-2,10H,3-7H2,(H,11,12).
What are the key properties of 2,9-diazaspiro[5.5]undec-4-en-1-one?
2,9-diazaspiro[5.5]undec-4-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[5.5]undec-4-en-1-one is sourced from PubChem (CID 89259547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).