Chemical ID: 5211652

CC=CCC1(C(=N1)c2ccccc2)C
Chemical ID:
5211652
Name [?]:
2-but-2-enyl-2-methyl-3-phenyl-azirine
SMILES [?]:
CC=CCC1(C(=N1)c2ccccc2)C
InChi [?]:
InChI=1/C13H15N/c1-3-4-10-13(2)12(14-13)11-8-6-5-7-9-11/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,3,11,10,12,9,13,4,8,6,5,7/E:(6,7)(8,9)/rA:14cCCCCCCNCCCCCCC/rB:s1;w2;s3;s4;s5;s5d6;s6;s8;d9;s10;d11;d8s12;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.39626
Area:389.716
Solvation:-1.34664
Coulombic:-9.41943
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:185.265
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.42
LogP (Chemaxon):3.22

Name Annotations

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Descriptor Annotations

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