Chemical ID: 6633351

CC1=NN(C(=O)C1)CC(=C)C
Chemical ID:
6633351
Name [?]:
5-methyl-2-(2-methylprop-2-enyl)-4H-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1)CC(=C)C
InChi [?]:
InChI=1/C8H12N2O/c1-6(2)5-10-8(11)4-7(3)9-10/h1,4-5H2,2-3H3
InChi Info:
AuxInfo=1/0/N:10,11,1,7,8,9,2,5,3,4,6/rA:11nCCNNCOCCCCC/rB:s1;d2;s3;s4;d5;s2s5;s4;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.03796
Area:322.319
Solvation:-2.02003
Coulombic:-14.2808
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:152.194
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.38
LogP (Chemaxon):1.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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