2-azaspiro[4.4]nonane-2-carbonitrile

C9H14N2 — CID 130516424

IUPAC2-azaspiro[4.4]nonane-2-carbonitrile
SMILESN#CN1CCC2(CCCC2)C1
InChIInChI=1S/C9H14N2/c10-8-11-6-5-9(7-11)3-1-2-4-9/h1-7H2
InChIKeyAZJRMOKAHXOCJO-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.73
Rot. Bonds

About 2-azaspiro[4.4]nonane-2-carbonitrile

2-azaspiro[4.4]nonane-2-carbonitrile (PubChem CID 130516424) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-azaspiro[4.4]nonane-2-carbonitrile.

Molecular Properties

Compound Name2-azaspiro[4.4]nonane-2-carbonitrile
PubChem CID130516424
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-azaspiro[4.4]nonane-2-carbonitrile
SMILESN#CN1CCC2(CCCC2)C1
InChIInChI=1S/C9H14N2/c10-8-11-6-5-9(7-11)3-1-2-4-9/h1-7H2
InChIKeyAZJRMOKAHXOCJO-UHFFFAOYSA-N
XLogP1.73
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-di(propan-2-yl)pyrrolidine-1-carbonitrile
CID 170081596
spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile
CID 154618923
2-methyl-2-azaspiro[4.4]nonane
CID 59284550
3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile
CID 130168272
2-methoxy-2-azaspiro[4.5]decane
CID 166893763
pyrrolidine-1-carbonitrile;hydrochloride
CID 18454671
2-azaspiro[4.4]nonane-2-sulfonyl chloride
CID 130516395
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
6-ethynyl-2,6-diazaspiro[3.4]octane
CID 129180673
spiro[4.4]nonane
CID 90780660
2,3a,7a-trimethyl-3-oxo-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carbonitrile;methane
CID 158540539
2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
CID 55166038

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.4]nonane-2-carbonitrile?
The IUPAC name of 2-azaspiro[4.4]nonane-2-carbonitrile (CID 130516424) is 2-azaspiro[4.4]nonane-2-carbonitrile.
What is the SMILES notation for 2-azaspiro[4.4]nonane-2-carbonitrile?
The canonical SMILES for 2-azaspiro[4.4]nonane-2-carbonitrile is N#CN1CCC2(CCCC2)C1.
What is the InChIKey of 2-azaspiro[4.4]nonane-2-carbonitrile?
The InChIKey is AZJRMOKAHXOCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-8-11-6-5-9(7-11)3-1-2-4-9/h1-7H2.
What are the key properties of 2-azaspiro[4.4]nonane-2-carbonitrile?
2-azaspiro[4.4]nonane-2-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.4]nonane-2-carbonitrile is sourced from PubChem (CID 130516424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).