2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile

C10H15N3O — CID 167481421

IUPAC2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile
SMILESCNC(C#N)CC1CC2(CC2)NC1=O
InChIInChI=1S/C10H15N3O/c1-12-8(6-11)4-7-5-10(2-3-10)13-9(7)14/h7-8,12H,2-5H2,1H3,(H,13,14)
InChIKeyGEGUAADUFQQKPJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.16
Rot. Bonds3

About 2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile

2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile (PubChem CID 167481421) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile.

Molecular Properties

Compound Name2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile
PubChem CID167481421
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile
SMILESCNC(C#N)CC1CC2(CC2)NC1=O
InChIInChI=1S/C10H15N3O/c1-12-8(6-11)4-7-5-10(2-3-10)13-9(7)14/h7-8,12H,2-5H2,1H3,(H,13,14)
InChIKeyGEGUAADUFQQKPJ-UHFFFAOYSA-N
XLogP0.16
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
CID 167481044
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide
CID 166893698
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167480981
N-[1-[[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 167482053
ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
CID 167481225
N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide
CID 167482184
N-[1-[[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 162479306
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-1-one
CID 167481429
N-[1-[[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide
CID 166893413
(1R,2S,5S)-3-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 163739110
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166840326
(2S)-N-[(2S)-1-[[(1S)-1-cyano-2-[(6S)-5-oxo-4-azaspiro[2.5]octan-6-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166494936

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile?
The IUPAC name of 2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile (CID 167481421) is 2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile.
What is the SMILES notation for 2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile?
The canonical SMILES for 2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile is CNC(C#N)CC1CC2(CC2)NC1=O.
What is the InChIKey of 2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile?
The InChIKey is GEGUAADUFQQKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-8(6-11)4-7-5-10(2-3-10)13-9(7)14/h7-8,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile?
2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile has a molecular weight of 193.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile is sourced from PubChem (CID 167481421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).