Chemical ID: 7333525

Cc1cc(c(n1CC=C)C)C(C)(C)c2cc(n(c2C)CC=C)C
Chemical ID:
7333525
Name [?]:
1-allyl-3-[1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-1-methyl-ethyl]-2,5-dimethyl-pyrrole
SMILES [?]:
Cc1cc(c(n1CC=C)C)C(C)(C)c2cc(n(c2C)CC=C)C
InChi [?]:
InChI=1/C21H30N2/c1-9-11-22-15(3)13-19(17(22)5)21(7,8)20-14-16(4)23(12-10-2)18(20)6/h9-10,13-14H,1-2,11-12H2,3-8H3
InChi Info:
AuxInfo=1/0/N:9,22,1,23,10,19,12,13,8,21,7,20,3,15,2,16,5,18,4,14,11,6,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(22,23)/rA:23nCCCCCNCCCCCCCCCCNCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s5;s4;s11;s11;s11;s14;d15;s16;d14s17;s18;s17;s20;d21;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N2
All Atoms:53
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.4544
Area:529.048
Solvation:-1.77183
Coulombic:-13.685
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:310.476
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.34
LogP (Chemaxon):5.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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