3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile

C11H16N2O — CID 130168272

IUPAC3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCC2(CCCC2)C1
InChIInChI=1S/C11H16N2O/c12-7-3-10(14)13-8-6-11(9-13)4-1-2-5-11/h1-6,8-9H2
InChIKeyJCBLQEUOLVOKHP-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.69
Rot. Bonds1

About 3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile

3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile (PubChem CID 130168272) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile
PubChem CID130168272
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCC2(CCCC2)C1
InChIInChI=1S/C11H16N2O/c12-7-3-10(14)13-8-6-11(9-13)4-1-2-5-11/h1-6,8-9H2
InChIKeyJCBLQEUOLVOKHP-UHFFFAOYSA-N
XLogP1.69
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile
CID 130256652
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810
tert-butyl 9-(2-cyanoacetyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 122145688
3-(3,3-dimethylazetidin-1-yl)-3-oxopropanenitrile
CID 130659310
3-(4-methyl-4-propan-2-ylpiperidin-1-yl)-3-oxopropanenitrile
CID 58394951
3-(2-aminoethoxy)-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 112739108
3-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-3-oxopropanenitrile
CID 121202820
1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone
CID 130643020
3-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-3-oxopropanenitrile
CID 71085223
3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile
CID 97393465
3-(4-acetylpiperazin-1-yl)-3-oxopropanenitrile
CID 24696391

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile?
The IUPAC name of 3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile (CID 130168272) is 3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile?
The canonical SMILES for 3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile is N#CCC(=O)N1CCC2(CCCC2)C1.
What is the InChIKey of 3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile?
The InChIKey is JCBLQEUOLVOKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-7-3-10(14)13-8-6-11(9-13)4-1-2-5-11/h1-6,8-9H2.
What are the key properties of 3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile?
3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile has a molecular weight of 192.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile is sourced from PubChem (CID 130168272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).