2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile

C15H24N2O — CID 62930586

IUPAC2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile
SMILESCCC(C#N)C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H24N2O/c1-2-13(12-16)14(18)17-10-8-15(9-11-17)6-4-3-5-7-15/h13H,2-11H2,1H3
InChIKeyVNJPEKWGBWPSKB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.11
Rot. Bonds2

About 2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile

2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile (PubChem CID 62930586) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile
PubChem CID62930586
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile
SMILESCCC(C#N)C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H24N2O/c1-2-13(12-16)14(18)17-10-8-15(9-11-17)6-4-3-5-7-15/h13H,2-11H2,1H3
InChIKeyVNJPEKWGBWPSKB-UHFFFAOYSA-N
XLogP3.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile?
The IUPAC name of 2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile (CID 62930586) is 2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile?
The canonical SMILES for 2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile is CCC(C#N)C(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile?
The InChIKey is VNJPEKWGBWPSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-13(12-16)14(18)17-10-8-15(9-11-17)6-4-3-5-7-15/h13H,2-11H2,1H3.
What are the key properties of 2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile?
2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile has a molecular weight of 248.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile is sourced from PubChem (CID 62930586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).