5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile

C13H18N2O2 — CID 60673991

IUPAC5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile
SMILESN#CCCCCN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C13H18N2O2/c14-8-4-1-5-9-15-11(16)10-13(12(15)17)6-2-3-7-13/h1-7,9-10H2
InChIKeyXYNFZWHJBBKOJR-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.00
Rot. Bonds4

About 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile

5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile (PubChem CID 60673991) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile.

Molecular Properties

Compound Name5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile
PubChem CID60673991
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile
SMILESN#CCCCCN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C13H18N2O2/c14-8-4-1-5-9-15-11(16)10-13(12(15)17)6-2-3-7-13/h1-7,9-10H2
InChIKeyXYNFZWHJBBKOJR-UHFFFAOYSA-N
XLogP2.00
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile?
The IUPAC name of 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile (CID 60673991) is 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile.
What is the SMILES notation for 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile?
The canonical SMILES for 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile is N#CCCCCN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile?
The InChIKey is XYNFZWHJBBKOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-8-4-1-5-9-15-11(16)10-13(12(15)17)6-2-3-7-13/h1-7,9-10H2.
What are the key properties of 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile?
5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile has a molecular weight of 234.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile is sourced from PubChem (CID 60673991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).