Chemical ID: 6660353

C1CC(=O)N(C1)CCC#N
Chemical ID:
6660353
Name [?]:
3-(2-oxopyrrolidin-1-yl)propanenitrile
SMILES [?]:
C1CC(=O)N(C1)CCC#N
InChi [?]:
InChI=1/C7H10N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-3,5-6H2
InChi Info:
AuxInfo=1/0/N:1,8,2,9,6,7,3,10,5,4/rA:10nCCCONCCCCN/rB:s1;s2;d3;s3;s1s5;s5;s7;s8;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N2O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.39293
Area:311.841
Solvation:-2.40311
Coulombic:-16.8719
Bond Count [?]
All:10
Single:8
Double:1
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:138.167
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.52
LogP (Chemaxon):-0.34

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Experimental Annotations

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Descriptor Annotations

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