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Chemical ID: 4701115

Chemical ID:

4701115

Name [?]:

N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]cyclopropanecarboxamide

SMILES [?]:

CC1(OC(=O)C(=CNC(=O)C2CC2)C(=O)O1)C

InChi [?]:

InChI=1/C11H13NO5/c1-11(2)16-9(14)7(10(15)17-11)5-12-8(13)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,12,13)

InChi Info:

AuxInfo=1/1/N:1,17,12,13,7,11,6,9,4,14,2,8,10,5,15,3,16/E:(1,2)(3,4)(9,10)(14,15)(16,17)/rA:17nCCOCOCCNCOCCCCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s11;s11s12;s6;d14;s2s14;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₃NO₅
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.38868
Area:	422.666
Solvation:	-3.17797
Coulombic:	-57.0292

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	239.225
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	0.72
LogP (Chemaxon):	0.35

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value