Chemical ID: 6728463

CC(C)C=C1CCC(=Cc2cc[nH+]cc2)C1=O
Chemical ID:
6728463
Name [?]:
2-(2-methylpropylidene)-5-(1H-pyridin-4-ylmethylene)cyclopentan-1-one
SMILES [?]:
CC(C)C=C1CCC(=Cc2cc[nH+]cc2)C1=O
InChi [?]:
InChI=1/C15H17NO/c1-11(2)9-13-3-4-14(15(13)17)10-12-5-7-16-8-6-12/h5-11H,3-4H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,6,7,11,15,12,14,4,9,2,10,5,8,16,13,17/E:(1,2)(5,6)(7,8)/rA:17nCCCCCCCCCCCCN+CCCO/rB:s1;s2;s2;w4;s5;s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s5s8;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18NO+
All Atoms:35
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-21.9053
Area:422.241
Solvation:-32.4613
Coulombic:-2.95048
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:228.31
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.4
LogP (Chemaxon):2.77

Name Annotations

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Descriptor Annotations

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