Chemical ID: 4784333

Cc1c(n(c(c1C#N)n2cccc2)CC3CC3)C
Chemical ID:
4784333
Name [?]:
1-(cyclopropylmethyl)-4,5-dimethyl-2-pyrrol-1-yl-pyrrole-3-carbonitrile
SMILES [?]:
Cc1c(n(c(c1C#N)n2cccc2)CC3CC3)C
InChi [?]:
InChI=1/C15H17N3/c1-11-12(2)18(10-13-5-6-13)15(14(11)9-16)17-7-3-4-8-17/h3-4,7-8,13H,5-6,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,11,12,16,17,10,13,7,14,2,3,15,6,5,8,9,4/E:(3,4)(5,6)(7,8)/rA:18nCCCNCCCNNCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;t7;s5;s9;d10;s11;s9d12;s4;s14;s15;s15s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.21563
Area:430.189
Solvation:-1.53909
Coulombic:-15.324
Bond Count [?]
All:20
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:239.316
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.04
LogP (Chemaxon):2.91

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