Chemical ID: 4688099

Cn1cccc1C(C#N)N(C)C
Chemical ID:
4688099
Name [?]:
2-dimethylamino-2-(1-methylpyrrol-2-yl)-acetonitrile
SMILES [?]:
Cn1cccc1C(C#N)N(C)C
InChi [?]:
InChI=1/C9H13N3/c1-11(2)9(7-10)8-5-4-6-12(8)3/h4-6,9H,1-3H3
InChi Info:
AuxInfo=1/0/N:11,12,1,4,5,3,8,6,7,9,10,2/E:(1,2)/rA:12cCNCCCCCCNNCC/rB:s1;s2;d3;s4;s2d5;s6;s7;t8;s7;s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.59805
Area:327.373
Solvation:-1.58628
Coulombic:-14.943
Bond Count [?]
All:12
Single:9
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:163.22
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.24
LogP (Chemaxon):1.03

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Descriptor Annotations

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