Chemical ID: 4662610

CC1=NNC(=O)C1(C)C
Chemical ID:
4662610
Name [?]:
4,4,5-trimethyl-2H-pyrazol-3-one
SMILES [?]:
CC1=NNC(=O)C1(C)C
InChi [?]:
InChI=1/C6H10N2O/c1-4-6(2,3)5(9)8-7-4/h1-3H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,8,9,2,5,7,3,4,6/E:(2,3)/rA:9nCCNNCOCCC/rB:s1;d2;s3;s4;d5;s2s5;s7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H10N2O
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.17409
Area:274.572
Solvation:-1.69021
Coulombic:-18.8302
Bond Count [?]
All:9
Single:7
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:126.156
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.95
LogP (Chemaxon):1.42

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Descriptor Annotations

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