2-azaspiro[4.4]nona-2,7-dien-1-one

C8H9NO — CID 140755962

IUPAC2-azaspiro[4.4]nona-2,7-dien-1-one
SMILESO=C1N=CCC12CC=CC2
InChIInChI=1S/C8H9NO/c10-7-8(5-6-9-7)3-1-2-4-8/h1-2,6H,3-5H2
InChIKeyIFIQEXJYIQVTPV-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.32
Rot. Bonds

About 2-azaspiro[4.4]nona-2,7-dien-1-one

2-azaspiro[4.4]nona-2,7-dien-1-one (PubChem CID 140755962) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-azaspiro[4.4]nona-2,7-dien-1-one.

Molecular Properties

Compound Name2-azaspiro[4.4]nona-2,7-dien-1-one
PubChem CID140755962
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-azaspiro[4.4]nona-2,7-dien-1-one
SMILESO=C1N=CCC12CC=CC2
InChIInChI=1S/C8H9NO/c10-7-8(5-6-9-7)3-1-2-4-8/h1-2,6H,3-5H2
InChIKeyIFIQEXJYIQVTPV-UHFFFAOYSA-N
XLogP1.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.32
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-azaspiro[4.4]nona-2,7-dien-1-one?
The IUPAC name of 2-azaspiro[4.4]nona-2,7-dien-1-one (CID 140755962) is 2-azaspiro[4.4]nona-2,7-dien-1-one.
What is the SMILES notation for 2-azaspiro[4.4]nona-2,7-dien-1-one?
The canonical SMILES for 2-azaspiro[4.4]nona-2,7-dien-1-one is O=C1N=CCC12CC=CC2.
What is the InChIKey of 2-azaspiro[4.4]nona-2,7-dien-1-one?
The InChIKey is IFIQEXJYIQVTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-7-8(5-6-9-7)3-1-2-4-8/h1-2,6H,3-5H2.
What are the key properties of 2-azaspiro[4.4]nona-2,7-dien-1-one?
2-azaspiro[4.4]nona-2,7-dien-1-one has a molecular weight of 135.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.4]nona-2,7-dien-1-one is sourced from PubChem (CID 140755962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).