1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile

C8H11N3O — CID 137378552

IUPAC1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile
SMILESN#CN1CCC2(CCNC2=O)C1
InChIInChI=1S/C8H11N3O/c9-6-11-4-2-8(5-11)1-3-10-7(8)12/h1-5H2,(H,10,12)
InChIKeyQEPOMPAAPNDUNU-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.32
Rot. Bonds

About 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile

1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile (PubChem CID 137378552) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile.

Molecular Properties

Compound Name1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile
PubChem CID137378552
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile
SMILESN#CN1CCC2(CCNC2=O)C1
InChIInChI=1S/C8H11N3O/c9-6-11-4-2-8(5-11)1-3-10-7(8)12/h1-5H2,(H,10,12)
InChIKeyQEPOMPAAPNDUNU-UHFFFAOYSA-N
XLogP-0.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile?
The IUPAC name of 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile (CID 137378552) is 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile.
What is the SMILES notation for 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile?
The canonical SMILES for 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile is N#CN1CCC2(CCNC2=O)C1.
What is the InChIKey of 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile?
The InChIKey is QEPOMPAAPNDUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-6-11-4-2-8(5-11)1-3-10-7(8)12/h1-5H2,(H,10,12).
What are the key properties of 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile?
1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile has a molecular weight of 165.20 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile is sourced from PubChem (CID 137378552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).