Chemical ID: 4215114

CC(C)c1ccc2c(c1)c3c([nH]2)C(=O)CCC3
Chemical ID:
4215114
Name [?]:
6-isopropyl-2,3,4,9-tetrahydrocarbazol-1-one
SMILES [?]:
CC(C)c1ccc2c(c1)c3c([nH]2)C(=O)CCC3
InChi [?]:
InChI=1/C15H17NO/c1-9(2)10-6-7-13-12(8-10)11-4-3-5-14(17)15(11)16-13/h6-9,16H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,15,5,6,9,2,4,10,8,7,13,11,12,14/E:(1,2)/rA:17nCCCCCCCCCCCNCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s11;d13;s13;s15;s10s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.22405
Area:408.085
Solvation:-1.97809
Coulombic:-20.2688
Bond Count [?]
All:19
Single:14
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:227.302
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.39
LogP (Chemaxon):3.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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