Chemical ID: 7261092

Cn1cccc1C(=O)NCCc2c[nH]c3c2cccc3
Chemical ID:
7261092
Name [?]:
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-pyrrole-2-carboxamide
SMILES [?]:
Cn1cccc1C(=O)NCCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C16H17N3O/c1-19-10-4-7-15(19)16(20)17-9-8-12-11-18-14-6-3-2-5-13(12)14/h2-7,10-11,18H,8-9H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,18,19,4,17,20,5,11,10,3,13,12,16,15,6,7,9,14,2,8/rA:20nCNCCCCCONCCCCNCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.3602
Area:478.739
Solvation:-2.60826
Coulombic:-40.0736
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.326
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.48
LogP (Chemaxon):2.39

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue