Chemical ID: 6386532

CC(C)(C)NC(=O)CC#N
Chemical ID:
6386532
Name [?]:
3-nitrido-N-tert-butyl-propanamide
SMILES [?]:
CC(C)(C)NC(=O)CC#N
InChi [?]:
InChI=1/C7H12N2O/c1-7(2,3)9-6(10)4-5-8/h4H2,1-3H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,8,9,6,2,10,5,7/E:(1,2,3)/rA:10nCCCCNCOCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12N2O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.1607
Area:313.489
Solvation:-2.67652
Coulombic:-21.2986
Bond Count [?]
All:9
Single:7
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:140.183
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.9
LogP (Chemaxon):0.24

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Descriptor Annotations

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