2-(2-azaspiro[3.4]octan-2-yl)butanenitrile

C11H18N2 — CID 130643612

IUPAC2-(2-azaspiro[3.4]octan-2-yl)butanenitrile
SMILESCCC(C#N)N1CC2(CCCC2)C1
InChIInChI=1S/C11H18N2/c1-2-10(7-12)13-8-11(9-13)5-3-4-6-11/h10H,2-6,8-9H2,1H3
InChIKeyPHQUSQOVKDYKGP-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.16
Rot. Bonds2

About 2-(2-azaspiro[3.4]octan-2-yl)butanenitrile

2-(2-azaspiro[3.4]octan-2-yl)butanenitrile (PubChem CID 130643612) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-(2-azaspiro[3.4]octan-2-yl)butanenitrile.

Molecular Properties

Compound Name2-(2-azaspiro[3.4]octan-2-yl)butanenitrile
PubChem CID130643612
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-(2-azaspiro[3.4]octan-2-yl)butanenitrile
SMILESCCC(C#N)N1CC2(CCCC2)C1
InChIInChI=1S/C11H18N2/c1-2-10(7-12)13-8-11(9-13)5-3-4-6-11/h10H,2-6,8-9H2,1H3
InChIKeyPHQUSQOVKDYKGP-UHFFFAOYSA-N
XLogP2.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)butanenitrile?
The IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)butanenitrile (CID 130643612) is 2-(2-azaspiro[3.4]octan-2-yl)butanenitrile.
What is the SMILES notation for 2-(2-azaspiro[3.4]octan-2-yl)butanenitrile?
The canonical SMILES for 2-(2-azaspiro[3.4]octan-2-yl)butanenitrile is CCC(C#N)N1CC2(CCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.4]octan-2-yl)butanenitrile?
The InChIKey is PHQUSQOVKDYKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-10(7-12)13-8-11(9-13)5-3-4-6-11/h10H,2-6,8-9H2,1H3.
What are the key properties of 2-(2-azaspiro[3.4]octan-2-yl)butanenitrile?
2-(2-azaspiro[3.4]octan-2-yl)butanenitrile has a molecular weight of 178.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.4]octan-2-yl)butanenitrile is sourced from PubChem (CID 130643612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).