Chemical ID: 5766472

CC1CCCN(C1)C(=O)c2cc3ccccc3oc2=O
Chemical ID:
5766472
Name [?]:
3-[(3-methyl-1-piperidyl)carbonyl]chromen-2-one
SMILES [?]:
CC1CCCN(C1)C(=O)c2cc3ccccc3oc2=O
InChi [?]:
InChI=1/C16H17NO3/c1-11-5-4-8-17(10-11)15(18)13-9-12-6-2-3-7-14(12)20-16(13)19/h2-3,6-7,9,11H,4-5,8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,4,3,13,16,5,11,7,2,12,10,17,8,19,6,9,20,18/rA:20cCCCCCNCCOCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;d10;s11;s12;d13;s14;d15;d12s16;s17;s10s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.07115
Area:448.216
Solvation:-3.13425
Coulombic:-36.3496
Bond Count [?]
All:22
Single:16
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:271.311
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.4
LogP (Chemaxon):2.38

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