Chemical ID: 4258599

CC(=O)CC(=O)N1CCCC1
Chemical ID:
4258599
Name [?]:
1-pyrrolidin-1-ylbutane-1,3-dione
SMILES [?]:
CC(=O)CC(=O)N1CCCC1
InChi [?]:
InChI=1/C8H13NO2/c1-7(10)6-8(11)9-4-2-3-5-9/h2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,11,4,2,5,7,3,6/E:(2,3)(4,5)/rA:11nCCOCCONCCCC/rB:s1;d2;s2;s4;d5;s5;s7;s8;s9;s7s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:3.71477
Area:321.791
Solvation:-4.33
Coulombic:-18.7523
Bond Count [?]
All:11
Single:9
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:155.194
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.4
LogP (Chemaxon):0.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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