Chemical ID: 6352576

c1ccc2c(c1)CCCN2C(=O)CC#N
Chemical ID:
6352576
Name [?]:
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propanenitrile
SMILES [?]:
c1ccc2c(c1)CCCN2C(=O)CC#N
InChi [?]:
InChI=1/C12H12N2O/c13-8-7-12(15)14-9-3-5-10-4-1-2-6-11(10)14/h1-2,4,6H,3,5,7,9H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,13,14,9,5,4,11,15,10,12/rA:15nCCCCCCCCCNCOCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;d11;s11;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.21484
Area:371.808
Solvation:-3.08035
Coulombic:-17.1589
Bond Count [?]
All:16
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.237
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.51
LogP (Chemaxon):1.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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