Chemical ID: 6422040

C[N+]1(CCCC1)C23CCCC2CC3C#N
Chemical ID:
6422040
Name [?]:
1-(1-methyl-2,3,4,5-tetrahydropyrrol-1-yl)bicyclo[3.2.0]heptane-7-carbonitrile
SMILES [?]:
C[N+]1(CCCC1)C23CCCC2CC3C#N
InChi [?]:
InChI=1/C13H21N2/c1-15(7-2-3-8-15)13-6-4-5-11(13)9-12(13)10-14/h11-12H,2-9H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,4,5,9,10,8,3,6,12,14,11,13,7,15,2/E:(2,3)(7,8)/CRV:15+1/rA:15cCN+CCCCCCCCCCCCN/rB:s1;s2;s3;s4;s2s5;s2;s7;s8;s9;s7s10;s11;s7s12;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N2+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:3
ZAP Information [?]
Total:-17.7382
Area:339.573
Solvation:-26.2275
Coulombic:22.0557
Bond Count [?]
All:17
Single:16
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:205.319
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.09
LogP (Chemaxon):-3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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