ChemDB: Chemical Search
Download
Chemical ID: 5766472
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|