2-azaspiro[4.4]non-7-en-3-one

C8H11NO — CID 163196966

IUPAC2-azaspiro[4.4]non-7-en-3-one
SMILESO=C1CC2(CC=CC2)CN1
InChIInChI=1S/C8H11NO/c10-7-5-8(6-9-7)3-1-2-4-8/h1-2H,3-6H2,(H,9,10)
InChIKeyNSPQNPKAUSKDQN-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.84
Rot. Bonds

About 2-azaspiro[4.4]non-7-en-3-one

2-azaspiro[4.4]non-7-en-3-one (PubChem CID 163196966) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-azaspiro[4.4]non-7-en-3-one.

Molecular Properties

Compound Name2-azaspiro[4.4]non-7-en-3-one
PubChem CID163196966
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-azaspiro[4.4]non-7-en-3-one
SMILESO=C1CC2(CC=CC2)CN1
InChIInChI=1S/C8H11NO/c10-7-5-8(6-9-7)3-1-2-4-8/h1-2H,3-6H2,(H,9,10)
InChIKeyNSPQNPKAUSKDQN-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.84
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 2-azaspiro[4.4]non-7-en-3-one?
The IUPAC name of 2-azaspiro[4.4]non-7-en-3-one (CID 163196966) is 2-azaspiro[4.4]non-7-en-3-one.
What is the SMILES notation for 2-azaspiro[4.4]non-7-en-3-one?
The canonical SMILES for 2-azaspiro[4.4]non-7-en-3-one is O=C1CC2(CC=CC2)CN1.
What is the InChIKey of 2-azaspiro[4.4]non-7-en-3-one?
The InChIKey is NSPQNPKAUSKDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-7-5-8(6-9-7)3-1-2-4-8/h1-2H,3-6H2,(H,9,10).
What are the key properties of 2-azaspiro[4.4]non-7-en-3-one?
2-azaspiro[4.4]non-7-en-3-one has a molecular weight of 137.18 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.4]non-7-en-3-one is sourced from PubChem (CID 163196966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).