Chemical ID: 4106730

C1COCCN1C(=O)CC#N
Chemical ID:
4106730
Name [?]:
3-morpholino-3-oxo-propanenitrile
SMILES [?]:
C1COCCN1C(=O)CC#N
InChi [?]:
InChI=1/C7H10N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2
InChi Info:
AuxInfo=1/0/N:9,10,1,5,2,4,7,11,6,8,3/E:(3,4)(5,6)/rA:11nCCOCCNCOCCN/rB:s1;s2;s3;s4;s1s5;s6;d7;s7;s9;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N2O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:3.53823
Area:317.351
Solvation:-4.39555
Coulombic:-23.8408
Bond Count [?]
All:11
Single:9
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:154.167
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.66
LogP (Chemaxon):-0.69

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Descriptor Annotations

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