Chemical ID: 6681997

CCCC1(CC(=O)NC1=O)C
Chemical ID:
6681997
Name [?]:
3-methyl-3-propyl-pyrrolidine-2,5-dione
SMILES [?]:
CCCC1(CC(=O)NC1=O)C
InChi [?]:
InChI=1/C8H13NO2/c1-3-4-8(2)5-6(10)9-7(8)11/h3-5H2,1-2H3,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,11,2,3,5,6,9,4,8,7,10/rA:11cCCCCCCONCOC/rB:s1;s2;s3;s4;s5;d6;s6;s4s8;d9;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:5.5602
Area:315.05
Solvation:-2.31604
Coulombic:-27.9773
Bond Count [?]
All:11
Single:9
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:155.194
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.66
LogP (Chemaxon):0.95

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Descriptor Annotations

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