Chemical ID: 4974800

C1C(=N)NNC1=O
Chemical ID:
4974800
Name [?]:
5-iminopyrazolidin-3-one
SMILES [?]:
C1C(=N)NNC1=O
InChi [?]:
InChI=1/C3H5N3O/c4-2-1-3(7)6-5-2/h1H2,(H2,4,5)(H,6,7)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,4,5,7/rA:7nCCNNNCO/rB:s1;w2;s2;s4;s1s5;d6;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C3H5N3O
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:3.75466
Area:234.999
Solvation:-2.12031
Coulombic:-36.0052
Bond Count [?]
All:7
Single:5
Double:2
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:99.0914
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.36
LogP (Chemaxon):-1.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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