Chemical ID: 5229927

C=C(CN1CCCCC1)C(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
5229927
Name [?]:
1-(4-nitrophenyl)-2-(1-piperidylmethyl)prop-2-en-1-one
SMILES [?]:
C=C(CN1CCCCC1)C(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H18N2O3/c1-12(11-16-9-3-2-4-10-16)15(18)13-5-7-14(8-6-13)17(19)20/h5-8H,1-4,9-11H2
InChi Info:
AuxInfo=1/0/N:1,7,6,8,13,17,14,16,5,9,3,2,12,15,10,4,18,11,19,20/E:(3,4)(5,6)(7,8)(9,10)(19,20)/CRV:17.5/rA:20nCCCNCCCCCCOCCCCCCN+OO-/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.85374
Area:473.154
Solvation:-7.97512
Coulombic:-26.0856
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.315
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.45
LogP (Chemaxon):2.82

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Descriptor Annotations

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