3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile

C9H12N2O — CID 130256652

IUPAC3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C9H12N2O/c10-5-1-8(12)11-6-4-9(7-11)2-3-9/h1-4,6-7H2
InChIKeyNYNVMBLTZZSARZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.91
Rot. Bonds1

About 3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile

3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile (PubChem CID 130256652) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile
PubChem CID130256652
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C9H12N2O/c10-5-1-8(12)11-6-4-9(7-11)2-3-9/h1-4,6-7H2
InChIKeyNYNVMBLTZZSARZ-UHFFFAOYSA-N
XLogP0.91
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile
CID 130168272
tert-butyl 9-(2-cyanoacetyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 122145688
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
3-(3,3-dimethylazetidin-1-yl)-3-oxopropanenitrile
CID 130659310
3-(4-methyl-4-propan-2-ylpiperidin-1-yl)-3-oxopropanenitrile
CID 58394951
3-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-3-oxopropanenitrile
CID 71085223
3-(4-acetylpiperazin-1-yl)-3-oxopropanenitrile
CID 24696391
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
3-(3-ethyl-3-methylazetidin-1-yl)-3-oxopropanenitrile
CID 130677992
3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile
CID 97393465
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810
4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile
CID 118662443

Frequently Asked Questions

What is the IUPAC name of 3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile?
The IUPAC name of 3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile (CID 130256652) is 3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile?
The canonical SMILES for 3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile is N#CCC(=O)N1CCC2(CC2)C1.
What is the InChIKey of 3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile?
The InChIKey is NYNVMBLTZZSARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-5-1-8(12)11-6-4-9(7-11)2-3-9/h1-4,6-7H2.
What are the key properties of 3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile?
3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile has a molecular weight of 164.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile is sourced from PubChem (CID 130256652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).