Chemical ID: 4701081

CC1(OC(=O)C(=CNC(=O)C(C)(C)C)C(=O)O1)C
Chemical ID:
4701081
Name [?]:
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC1(OC(=O)C(=CNC(=O)C(C)(C)C)C(=O)O1)C
InChi [?]:
InChI=1/C12H17NO5/c1-11(2,3)10(16)13-6-7-8(14)17-12(4,5)18-9(7)15/h6H,1-5H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:12,13,14,1,18,7,6,4,15,9,11,2,8,5,16,10,3,17/E:(1,2,3)(4,5)(8,9)(14,15)(17,18)/rA:18nCCOCOCCNCOCCCCCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s11;s11;s11;s6;d15;s2s15;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.89984
Area:438.274
Solvation:-3.05701
Coulombic:-57.9971
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:255.267
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.26
LogP (Chemaxon):1.52

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Descriptor Annotations

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