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

C10H15N3O — CID 137378546

IUPAC3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile
SMILESCCC1CC2(CCN(C#N)C2)C(=O)N1
InChIInChI=1S/C10H15N3O/c1-2-8-5-10(9(14)12-8)3-4-13(6-10)7-11/h8H,2-6H2,1H3,(H,12,14)
InChIKeyNHHBGQCOLUJNKP-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.46
Rot. Bonds1

About 3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile

3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile (PubChem CID 137378546) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile
PubChem CID137378546
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile
SMILESCCC1CC2(CCN(C#N)C2)C(=O)N1
InChIInChI=1S/C10H15N3O/c1-2-8-5-10(9(14)12-8)3-4-13(6-10)7-11/h8H,2-6H2,1H3,(H,12,14)
InChIKeyNHHBGQCOLUJNKP-UHFFFAOYSA-N
XLogP0.46
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile?
The IUPAC name of 3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile (CID 137378546) is 3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile.
What is the SMILES notation for 3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile?
The canonical SMILES for 3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile is CCC1CC2(CCN(C#N)C2)C(=O)N1.
What is the InChIKey of 3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile?
The InChIKey is NHHBGQCOLUJNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-8-5-10(9(14)12-8)3-4-13(6-10)7-11/h8H,2-6H2,1H3,(H,12,14).
What are the key properties of 3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile?
3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonitrile is sourced from PubChem (CID 137378546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).