Chemical ID: 6337850

Cc1c(c2ccccc2[nH]1)C=C(C#N)C(=O)NC3CC3
Chemical ID:
6337850
Name [?]:
2-cyano-N-cyclopropyl-3-(2-methyl-1H-indol-3-yl)-prop-2-enamide
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C=C(C#N)C(=O)NC3CC3
InChi [?]:
InChI=1/C16H15N3O/c1-10-14(13-4-2-3-5-15(13)18-10)8-11(9-17)16(20)19-12-6-7-12/h2-5,8,12,18H,6-7H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,19,20,11,13,2,12,18,4,3,9,15,14,10,17,16/E:(6,7)/rA:20nCCCCCCCCCNCCCNCONCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;w11;s12;t13;s12;d15;s15;s17;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.59152
Area:472.643
Solvation:-2.22456
Coulombic:-36.2884
Bond Count [?]
All:22
Single:15
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:265.31
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.2
LogP (Chemaxon):2.19

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Descriptor Annotations

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